1-(6-chloro-2-cyclohexylbenzimidazol-1-yl)propan-2-ol

C16H21ClN2O — CID 46308315

IUPAC1-(6-chloro-2-cyclohexylbenzimidazol-1-yl)propan-2-ol
SMILESCC(O)Cn1c(C2CCCCC2)nc2ccc(Cl)cc21
InChIInChI=1S/C16H21ClN2O/c1-11(20)10-19-15-9-13(17)7-8-14(15)18-16(19)12-5-3-2-4-6-12/h7-9,11-12,20H,2-6,10H2,1H3
InChIKeyWYNRLUSISMKWDM-UHFFFAOYSA-N
MW292.81 g/mol
LogP4.12
Rot. Bonds3

About 1-(6-chloro-2-cyclohexylbenzimidazol-1-yl)propan-2-ol

1-(6-chloro-2-cyclohexylbenzimidazol-1-yl)propan-2-ol (PubChem CID 46308315) has the molecular formula C16H21ClN2O and a molecular weight of 292.81 g/mol. Its IUPAC name is 1-(6-chloro-2-cyclohexylbenzimidazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(6-chloro-2-cyclohexylbenzimidazol-1-yl)propan-2-ol
PubChem CID46308315
Molecular FormulaC16H21ClN2O
Molecular Weight292.81 g/mol
Exact Mass292.13
IUPAC Name1-(6-chloro-2-cyclohexylbenzimidazol-1-yl)propan-2-ol
SMILESCC(O)Cn1c(C2CCCCC2)nc2ccc(Cl)cc21
InChIInChI=1S/C16H21ClN2O/c1-11(20)10-19-15-9-13(17)7-8-14(15)18-16(19)12-5-3-2-4-6-12/h7-9,11-12,20H,2-6,10H2,1H3
InChIKeyWYNRLUSISMKWDM-UHFFFAOYSA-N
XLogP4.12
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-chloro-2-cyclohexylbenzimidazol-1-yl)ethanol
CID 46308180
6-chloro-2-cyclohexyl-1-(2-methoxyethyl)benzimidazole
CID 46309125
1-butan-2-yl-6-chloro-2-cyclohexylbenzimidazole
CID 46309952
3-(6-chloro-2-cyclohexylbenzimidazol-1-yl)-N,N-diethylpropan-1-amine
CID 46308858
6-chloro-2-cyclohexyl-1-(furan-2-ylmethyl)benzimidazole
CID 46310221
1-[6-chloro-2-(3-methylphenyl)benzimidazol-1-yl]propan-2-ol
CID 46308322
3-(5-chloro-2-cyclohexylbenzimidazol-1-yl)propan-1-ol
CID 13105617
6-chloro-2-cyclopropyl-1-methylbenzimidazole
CID 46310330
6-chloro-2-cyclopropyl-1-(3-ethoxypropyl)benzimidazole
CID 46308708
6-chloro-2-(1-chloroethyl)-1-(cyclobutylmethyl)benzimidazole
CID 115471062
2-cyclopentyl-1-(2-methylpropyl)benzimidazol-5-amine
CID 82380447
6-chloro-2-(1-chloroethyl)-1-(cyclopropylmethyl)benzimidazole
CID 115470751

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2-cyclohexylbenzimidazol-1-yl)propan-2-ol?
The IUPAC name of 1-(6-chloro-2-cyclohexylbenzimidazol-1-yl)propan-2-ol (CID 46308315) is 1-(6-chloro-2-cyclohexylbenzimidazol-1-yl)propan-2-ol.
What is the SMILES notation for 1-(6-chloro-2-cyclohexylbenzimidazol-1-yl)propan-2-ol?
The canonical SMILES for 1-(6-chloro-2-cyclohexylbenzimidazol-1-yl)propan-2-ol is CC(O)Cn1c(C2CCCCC2)nc2ccc(Cl)cc21.
What is the InChIKey of 1-(6-chloro-2-cyclohexylbenzimidazol-1-yl)propan-2-ol?
The InChIKey is WYNRLUSISMKWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O/c1-11(20)10-19-15-9-13(17)7-8-14(15)18-16(19)12-5-3-2-4-6-12/h7-9,11-12,20H,2-6,10H2,1H3.
What are the key properties of 1-(6-chloro-2-cyclohexylbenzimidazol-1-yl)propan-2-ol?
1-(6-chloro-2-cyclohexylbenzimidazol-1-yl)propan-2-ol has a molecular weight of 292.81 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-2-cyclohexylbenzimidazol-1-yl)propan-2-ol is sourced from PubChem (CID 46308315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).