5-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]quinoline

C23H22ClN3 — CID 138664977

IUPAC5-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]quinoline
SMILESClc1ccc2nc(CC3CCC(c4cccc5ncccc45)CC3)[nH]c2c1
InChIInChI=1S/C23H22ClN3/c24-17-10-11-21-22(14-17)27-23(26-21)13-15-6-8-16(9-7-15)18-3-1-5-20-19(18)4-2-12-25-20/h1-5,10-12,14-16H,6-9,13H2,(H,26,27)
InChIKeyWRCJZBYHCCSQNF-UHFFFAOYSA-N
MW375.90 g/mol
LogP6.28
Rot. Bonds3

About 5-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]quinoline

5-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]quinoline (PubChem CID 138664977) has the molecular formula C23H22ClN3 and a molecular weight of 375.90 g/mol. Its IUPAC name is 5-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]quinoline.

Molecular Properties

Compound Name5-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]quinoline
PubChem CID138664977
Molecular FormulaC23H22ClN3
Molecular Weight375.90 g/mol
Exact Mass375.15
IUPAC Name5-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]quinoline
SMILESClc1ccc2nc(CC3CCC(c4cccc5ncccc45)CC3)[nH]c2c1
InChIInChI=1S/C23H22ClN3/c24-17-10-11-21-22(14-17)27-23(26-21)13-15-6-8-16(9-7-15)18-3-1-5-20-19(18)4-2-12-25-20/h1-5,10-12,14-16H,6-9,13H2,(H,26,27)
InChIKeyWRCJZBYHCCSQNF-UHFFFAOYSA-N
XLogP6.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.90
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]quinoline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]quinoline?
The IUPAC name of 5-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]quinoline (CID 138664977) is 5-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]quinoline.
What is the SMILES notation for 5-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]quinoline?
The canonical SMILES for 5-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]quinoline is Clc1ccc2nc(CC3CCC(c4cccc5ncccc45)CC3)[nH]c2c1.
What is the InChIKey of 5-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]quinoline?
The InChIKey is WRCJZBYHCCSQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3/c24-17-10-11-21-22(14-17)27-23(26-21)13-15-6-8-16(9-7-15)18-3-1-5-20-19(18)4-2-12-25-20/h1-5,10-12,14-16H,6-9,13H2,(H,26,27).
What are the key properties of 5-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]quinoline?
5-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]quinoline has a molecular weight of 375.90 g/mol, XLogP of 6.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]quinoline is sourced from PubChem (CID 138664977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).