1-Tert-butyl-4-(1-prop-2-ynylbenzimidazol-2-yl)pyrrolidin-2-one
TL;DR: 1-Tert-butyl-4-(1-prop-2-ynylbenzimidazol-2-yl)pyrrolidin-2-one (CAS 876888-66-3) is a chemical compound with molecular formula C18H21N3O and molecular weight 295.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-tert-butyl-4-(1-prop-2-ynylbenzimidazol-2-yl)pyrrolidin-2-one
Also Known As: BAS 11787974, VU0493296-1, 1-tert-butyl-4-(1-prop-2-ynylbenzimidazol-2-yl)pyrrolidin-2-one, F3320-0109, 1-(tert-butyl)-4-(1-(prop-2-yn-1-yl)-1H-benzo[d]imidazol-2-yl)pyrrolidin-2-one
| Molecular Formula | C18H21N3O |
|---|---|
| Molecular Weight | 295.17 g/mol |
| LogP | 2.7839 |
| Topological Polar Surface Area | 38.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 295.16846 |
| Heavy Atoms | 22 |
| Complexity | 760.71075 |
Chemical Identifiers
| CAS Number | 876888-66-3 |
|---|---|
| SMILES | CC(C)(C)N1CC(CC1=O)C2=NC3=CC=CC=C3N2CC#C |
Product Overview
1-Tert-butyl-4-(1-prop-2-ynylbenzimidazol-2-yl)pyrrolidin-2-one (CAS 876888-66-3), with molecular formula C18H21N3O and molecular weight 295.17 g/mol. IUPAC: 1-tert-butyl-4-(1-prop-2-ynylbenzimidazol-2-yl)pyrrolidin-2-one.
Chemical Property Profile of 1-Tert-butyl-4-(1-prop-2-ynylbenzimidazol-2-yl)pyrrolidin-2-one
Property Insights of 1-Tert-butyl-4-(1-prop-2-ynylbenzimidazol-2-yl)pyrrolidin-2-one
The XLogP value of 2.7839 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Tert-butyl-4-(1-prop-2-ynylbenzimidazol-2-yl)pyrrolidin-2-one. With a topological polar surface area (TPSA) of 38.13 Ų, 1-Tert-butyl-4-(1-prop-2-ynylbenzimidazol-2-yl)pyrrolidin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Tert-butyl-4-(1-prop-2-ynylbenzimidazol-2-yl)pyrrolidin-2-one has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Tert-butyl-4-(1-prop-2-ynylbenzimidazol-2-yl)pyrrolidin-2-one?
The CAS number of 1-Tert-butyl-4-(1-prop-2-ynylbenzimidazol-2-yl)pyrrolidin-2-one is 876888-66-3.
What is the molecular formula of 1-Tert-butyl-4-(1-prop-2-ynylbenzimidazol-2-yl)pyrrolidin-2-one?
The molecular formula of 1-Tert-butyl-4-(1-prop-2-ynylbenzimidazol-2-yl)pyrrolidin-2-one is C18H21N3O.
What is the molecular weight of 1-Tert-butyl-4-(1-prop-2-ynylbenzimidazol-2-yl)pyrrolidin-2-one?
The molecular weight of 1-Tert-butyl-4-(1-prop-2-ynylbenzimidazol-2-yl)pyrrolidin-2-one is 295.17 g/mol.
Where can I buy 1-Tert-butyl-4-(1-prop-2-ynylbenzimidazol-2-yl)pyrrolidin-2-one?
You can request a quote for 1-Tert-butyl-4-(1-prop-2-ynylbenzimidazol-2-yl)pyrrolidin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Tert-butyl-4-(1-prop-2-ynylbenzimidazol-2-yl)pyrrolidin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-Tert-butyl-4-(1-prop-2-ynylbenzimidazol-2-yl)pyrrolidin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.