2-butyl-6-cyclopropyl-1-ethylbenzimidazole

C16H22N2 — CID 170414968

IUPAC2-butyl-6-cyclopropyl-1-ethylbenzimidazole
SMILESCCCCc1nc2ccc(C3CC3)cc2n1CC
InChIInChI=1S/C16H22N2/c1-3-5-6-16-17-14-10-9-13(12-7-8-12)11-15(14)18(16)4-2/h9-12H,3-8H2,1-2H3
InChIKeyNLHUPKKCGOBINR-UHFFFAOYSA-N
MW242.37 g/mol
LogP4.28
Rot. Bonds5

About 2-butyl-6-cyclopropyl-1-ethylbenzimidazole

2-butyl-6-cyclopropyl-1-ethylbenzimidazole (PubChem CID 170414968) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 2-butyl-6-cyclopropyl-1-ethylbenzimidazole.

Molecular Properties

Compound Name2-butyl-6-cyclopropyl-1-ethylbenzimidazole
PubChem CID170414968
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name2-butyl-6-cyclopropyl-1-ethylbenzimidazole
SMILESCCCCc1nc2ccc(C3CC3)cc2n1CC
InChIInChI=1S/C16H22N2/c1-3-5-6-16-17-14-10-9-13(12-7-8-12)11-15(14)18(16)4-2/h9-12H,3-8H2,1-2H3
InChIKeyNLHUPKKCGOBINR-UHFFFAOYSA-N
XLogP4.28
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-butyl-6-cyclopropyl-1-ethylbenzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-2-pentylbenzimidazole
CID 3463966
2-butyl-1-ethylbenzimidazole-5-carbonitrile
CID 65040583
2-(2-chloroethyl)-1-ethyl-6-fluorobenzimidazole
CID 62377536
N-[(1-ethyl-6-fluorobenzimidazol-2-yl)methyl]cyclopentanamine
CID 55068076
2-butyl-3-ethylimidazo[4,5-b]pyridine
CID 150562237
1-cyclopropyl-N-ethyl-4-(1-ethylbenzimidazol-2-yl)butan-1-amine
CID 79757596
2-(2-chloroethyl)-3-ethylbenzimidazole-5-carbonitrile
CID 104715267
6-(1-ethylbenzimidazol-2-yl)-2-methylhexan-3-ol
CID 79750581
6-(1-ethylbenzimidazol-2-yl)-2-methylhexan-3-amine
CID 79750125
1-(6-chloro-1-ethylbenzimidazol-2-yl)-N-methylmethanamine
CID 46310511
(1-ethyl-6-methylbenzimidazol-2-yl)methanamine
CID 123207150
2-methoxy-6-(1-methylpiperidin-4-yl)-1-(3-phenylpropyl)benzimidazole
CID 175756654

Frequently Asked Questions

What is the IUPAC name of 2-butyl-6-cyclopropyl-1-ethylbenzimidazole?
The IUPAC name of 2-butyl-6-cyclopropyl-1-ethylbenzimidazole (CID 170414968) is 2-butyl-6-cyclopropyl-1-ethylbenzimidazole.
What is the SMILES notation for 2-butyl-6-cyclopropyl-1-ethylbenzimidazole?
The canonical SMILES for 2-butyl-6-cyclopropyl-1-ethylbenzimidazole is CCCCc1nc2ccc(C3CC3)cc2n1CC.
What is the InChIKey of 2-butyl-6-cyclopropyl-1-ethylbenzimidazole?
The InChIKey is NLHUPKKCGOBINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-3-5-6-16-17-14-10-9-13(12-7-8-12)11-15(14)18(16)4-2/h9-12H,3-8H2,1-2H3.
What are the key properties of 2-butyl-6-cyclopropyl-1-ethylbenzimidazole?
2-butyl-6-cyclopropyl-1-ethylbenzimidazole has a molecular weight of 242.37 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-6-cyclopropyl-1-ethylbenzimidazole is sourced from PubChem (CID 170414968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).