5-chloro-1-cyclohexylbenzimidazole

C13H15ClN2 — CID 15429072

IUPAC5-chloro-1-cyclohexylbenzimidazole
SMILESClc1ccc2c(c1)ncn2C1CCCCC1
InChIInChI=1S/C13H15ClN2/c14-10-6-7-13-12(8-10)15-9-16(13)11-4-2-1-3-5-11/h6-9,11H,1-5H2
InChIKeyBOUNHKUWPFEACD-UHFFFAOYSA-N
MW234.73 g/mol
LogP4.19
Rot. Bonds1

About 5-chloro-1-cyclohexylbenzimidazole

5-chloro-1-cyclohexylbenzimidazole (PubChem CID 15429072) has the molecular formula C13H15ClN2 and a molecular weight of 234.73 g/mol. Its IUPAC name is 5-chloro-1-cyclohexylbenzimidazole.

Molecular Properties

Compound Name5-chloro-1-cyclohexylbenzimidazole
PubChem CID15429072
Molecular FormulaC13H15ClN2
Molecular Weight234.73 g/mol
Exact Mass234.09
IUPAC Name5-chloro-1-cyclohexylbenzimidazole
SMILESClc1ccc2c(c1)ncn2C1CCCCC1
InChIInChI=1S/C13H15ClN2/c14-10-6-7-13-12(8-10)15-9-16(13)11-4-2-1-3-5-11/h6-9,11H,1-5H2
InChIKeyBOUNHKUWPFEACD-UHFFFAOYSA-N
XLogP4.19
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.73
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1H-Benzimidazol-2-amine, 6-chloro-
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1-(4-Chlorobenzyl)-1H-benzimidazole
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1-Phenyl-1H-benzoimidazole
CID 606669
6-Chloro-2-(2-pyridinyl)-1H-benzimidazole
CID 186763
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CID 5328453
1-ethyl-1H-1,3-benzodiazole
CID 485094
3-(1H-1,3-benzodiazol-1-yl)propan-1-amine
CID 3920849
5,6-dichloro-1-methyl-1H-1,3-benzodiazol-2-amine
CID 612073
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CID 840715

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-cyclohexylbenzimidazole?
The IUPAC name of 5-chloro-1-cyclohexylbenzimidazole (CID 15429072) is 5-chloro-1-cyclohexylbenzimidazole.
What is the SMILES notation for 5-chloro-1-cyclohexylbenzimidazole?
The canonical SMILES for 5-chloro-1-cyclohexylbenzimidazole is Clc1ccc2c(c1)ncn2C1CCCCC1.
What is the InChIKey of 5-chloro-1-cyclohexylbenzimidazole?
The InChIKey is BOUNHKUWPFEACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2/c14-10-6-7-13-12(8-10)15-9-16(13)11-4-2-1-3-5-11/h6-9,11H,1-5H2.
What are the key properties of 5-chloro-1-cyclohexylbenzimidazole?
5-chloro-1-cyclohexylbenzimidazole has a molecular weight of 234.73 g/mol, XLogP of 4.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-cyclohexylbenzimidazole is sourced from PubChem (CID 15429072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).