6-chloro-2-[(4-pyridin-4-ylcyclohexyl)methyl]-1H-benzimidazole

C19H20ClN3 — CID 138664195

IUPAC6-chloro-2-[(4-pyridin-4-ylcyclohexyl)methyl]-1H-benzimidazole
SMILESClc1ccc2nc(CC3CCC(c4ccncc4)CC3)[nH]c2c1
InChIInChI=1S/C19H20ClN3/c20-16-5-6-17-18(12-16)23-19(22-17)11-13-1-3-14(4-2-13)15-7-9-21-10-8-15/h5-10,12-14H,1-4,11H2,(H,22,23)
InChIKeyMVOHHIODWRVSMS-UHFFFAOYSA-N
MW325.84 g/mol
LogP5.13
Rot. Bonds3

About 6-chloro-2-[(4-pyridin-4-ylcyclohexyl)methyl]-1H-benzimidazole

6-chloro-2-[(4-pyridin-4-ylcyclohexyl)methyl]-1H-benzimidazole (PubChem CID 138664195) has the molecular formula C19H20ClN3 and a molecular weight of 325.84 g/mol. Its IUPAC name is 6-chloro-2-[(4-pyridin-4-ylcyclohexyl)methyl]-1H-benzimidazole.

Molecular Properties

Compound Name6-chloro-2-[(4-pyridin-4-ylcyclohexyl)methyl]-1H-benzimidazole
PubChem CID138664195
Molecular FormulaC19H20ClN3
Molecular Weight325.84 g/mol
Exact Mass325.13
IUPAC Name6-chloro-2-[(4-pyridin-4-ylcyclohexyl)methyl]-1H-benzimidazole
SMILESClc1ccc2nc(CC3CCC(c4ccncc4)CC3)[nH]c2c1
InChIInChI=1S/C19H20ClN3/c20-16-5-6-17-18(12-16)23-19(22-17)11-13-1-3-14(4-2-13)15-7-9-21-10-8-15/h5-10,12-14H,1-4,11H2,(H,22,23)
InChIKeyMVOHHIODWRVSMS-UHFFFAOYSA-N
XLogP5.13
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.84
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-chloro-2-[(4-pyridin-4-ylcyclohexyl)methyl]-1H-benzimidazole 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 6-chloro-2-[(4-pyridin-4-ylcyclohexyl)methyl]-1H-benzimidazole?
The IUPAC name of 6-chloro-2-[(4-pyridin-4-ylcyclohexyl)methyl]-1H-benzimidazole (CID 138664195) is 6-chloro-2-[(4-pyridin-4-ylcyclohexyl)methyl]-1H-benzimidazole.
What is the SMILES notation for 6-chloro-2-[(4-pyridin-4-ylcyclohexyl)methyl]-1H-benzimidazole?
The canonical SMILES for 6-chloro-2-[(4-pyridin-4-ylcyclohexyl)methyl]-1H-benzimidazole is Clc1ccc2nc(CC3CCC(c4ccncc4)CC3)[nH]c2c1.
What is the InChIKey of 6-chloro-2-[(4-pyridin-4-ylcyclohexyl)methyl]-1H-benzimidazole?
The InChIKey is MVOHHIODWRVSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3/c20-16-5-6-17-18(12-16)23-19(22-17)11-13-1-3-14(4-2-13)15-7-9-21-10-8-15/h5-10,12-14H,1-4,11H2,(H,22,23).
What are the key properties of 6-chloro-2-[(4-pyridin-4-ylcyclohexyl)methyl]-1H-benzimidazole?
6-chloro-2-[(4-pyridin-4-ylcyclohexyl)methyl]-1H-benzimidazole has a molecular weight of 325.84 g/mol, XLogP of 5.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[(4-pyridin-4-ylcyclohexyl)methyl]-1H-benzimidazole is sourced from PubChem (CID 138664195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).