4-chloro-2-(cycloheptylmethyl)-1H-benzimidazole

C15H19ClN2 — CID 114458303

IUPAC4-chloro-2-(cycloheptylmethyl)-1H-benzimidazole
SMILESClc1cccc2[nH]c(CC3CCCCCC3)nc12
InChIInChI=1S/C15H19ClN2/c16-12-8-5-9-13-15(12)18-14(17-13)10-11-6-3-1-2-4-7-11/h5,8-9,11H,1-4,6-7,10H2,(H,17,18)
InChIKeyQGBVOIHLMSZUKZ-UHFFFAOYSA-N
MW262.78 g/mol
LogP4.73
Rot. Bonds2

About 4-chloro-2-(cycloheptylmethyl)-1H-benzimidazole

4-chloro-2-(cycloheptylmethyl)-1H-benzimidazole (PubChem CID 114458303) has the molecular formula C15H19ClN2 and a molecular weight of 262.78 g/mol. Its IUPAC name is 4-chloro-2-(cycloheptylmethyl)-1H-benzimidazole.

Molecular Properties

Compound Name4-chloro-2-(cycloheptylmethyl)-1H-benzimidazole
PubChem CID114458303
Molecular FormulaC15H19ClN2
Molecular Weight262.78 g/mol
Exact Mass262.12
IUPAC Name4-chloro-2-(cycloheptylmethyl)-1H-benzimidazole
SMILESClc1cccc2[nH]c(CC3CCCCCC3)nc12
InChIInChI=1S/C15H19ClN2/c16-12-8-5-9-13-15(12)18-14(17-13)10-11-6-3-1-2-4-7-11/h5,8-9,11H,1-4,6-7,10H2,(H,17,18)
InChIKeyQGBVOIHLMSZUKZ-UHFFFAOYSA-N
XLogP4.73
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.78
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(cyclopentylmethyl)-1H-benzimidazol-4-amine
CID 63691018
N-[(4-chloro-1H-benzimidazol-2-yl)methyl]-1-cyclopropylmethanamine
CID 60787932
N-[(4-chloro-1H-benzimidazol-2-yl)methyl]cyclopropanamine
CID 60837999
5,6-dichloro-2-(cyclohexylmethyl)-1H-benzimidazole
CID 82005203
4-chloro-2-[2-(oxolan-2-yl)ethyl]-1H-benzimidazole
CID 65155499
4-chloro-2-(2,2,2-trifluoroethyl)-1H-benzimidazole
CID 60978005
4-[(4-hydroxy-1H-benzimidazol-2-yl)methyl]cyclohexane-1-carboxylic acid
CID 18732368
4-chloro-2-(pyridin-4-ylmethyl)-1H-benzimidazole
CID 60978006
4-chloro-2-[(4-fluorophenyl)methyl]-1H-benzimidazole
CID 60978001
4-fluoro-2-(thian-4-ylmethyl)-1H-benzimidazole
CID 83135923
5-chloro-4-methyl-2-(piperidin-4-ylmethyl)-1H-benzimidazole
CID 84639371
4-chloro-2-[(2-chloro-6-fluorophenyl)methyl]-1H-benzimidazole
CID 64724734

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(cycloheptylmethyl)-1H-benzimidazole?
The IUPAC name of 4-chloro-2-(cycloheptylmethyl)-1H-benzimidazole (CID 114458303) is 4-chloro-2-(cycloheptylmethyl)-1H-benzimidazole.
What is the SMILES notation for 4-chloro-2-(cycloheptylmethyl)-1H-benzimidazole?
The canonical SMILES for 4-chloro-2-(cycloheptylmethyl)-1H-benzimidazole is Clc1cccc2[nH]c(CC3CCCCCC3)nc12.
What is the InChIKey of 4-chloro-2-(cycloheptylmethyl)-1H-benzimidazole?
The InChIKey is QGBVOIHLMSZUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2/c16-12-8-5-9-13-15(12)18-14(17-13)10-11-6-3-1-2-4-7-11/h5,8-9,11H,1-4,6-7,10H2,(H,17,18).
What are the key properties of 4-chloro-2-(cycloheptylmethyl)-1H-benzimidazole?
4-chloro-2-(cycloheptylmethyl)-1H-benzimidazole has a molecular weight of 262.78 g/mol, XLogP of 4.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(cycloheptylmethyl)-1H-benzimidazole is sourced from PubChem (CID 114458303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).