3-(5-chloro-2-cyclohexylbenzimidazol-1-yl)propan-1-ol

C16H21ClN2O — CID 13105617

IUPAC3-(5-chloro-2-cyclohexylbenzimidazol-1-yl)propan-1-ol
SMILESOCCCn1c(C2CCCCC2)nc2cc(Cl)ccc21
InChIInChI=1S/C16H21ClN2O/c17-13-7-8-15-14(11-13)18-16(19(15)9-4-10-20)12-5-2-1-3-6-12/h7-8,11-12,20H,1-6,9-10H2
InChIKeyDXYQOUIUEIVIQH-UHFFFAOYSA-N
MW292.81 g/mol
LogP4.12
Rot. Bonds4

About 3-(5-chloro-2-cyclohexylbenzimidazol-1-yl)propan-1-ol

3-(5-chloro-2-cyclohexylbenzimidazol-1-yl)propan-1-ol (PubChem CID 13105617) has the molecular formula C16H21ClN2O and a molecular weight of 292.81 g/mol. Its IUPAC name is 3-(5-chloro-2-cyclohexylbenzimidazol-1-yl)propan-1-ol.

Molecular Properties

Compound Name3-(5-chloro-2-cyclohexylbenzimidazol-1-yl)propan-1-ol
PubChem CID13105617
Molecular FormulaC16H21ClN2O
Molecular Weight292.81 g/mol
Exact Mass292.13
IUPAC Name3-(5-chloro-2-cyclohexylbenzimidazol-1-yl)propan-1-ol
SMILESOCCCn1c(C2CCCCC2)nc2cc(Cl)ccc21
InChIInChI=1S/C16H21ClN2O/c17-13-7-8-15-14(11-13)18-16(19(15)9-4-10-20)12-5-2-1-3-6-12/h7-8,11-12,20H,1-6,9-10H2
InChIKeyDXYQOUIUEIVIQH-UHFFFAOYSA-N
XLogP4.12
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-cyclohexylbenzimidazol-1-yl)propan-1-ol?
The IUPAC name of 3-(5-chloro-2-cyclohexylbenzimidazol-1-yl)propan-1-ol (CID 13105617) is 3-(5-chloro-2-cyclohexylbenzimidazol-1-yl)propan-1-ol.
What is the SMILES notation for 3-(5-chloro-2-cyclohexylbenzimidazol-1-yl)propan-1-ol?
The canonical SMILES for 3-(5-chloro-2-cyclohexylbenzimidazol-1-yl)propan-1-ol is OCCCn1c(C2CCCCC2)nc2cc(Cl)ccc21.
What is the InChIKey of 3-(5-chloro-2-cyclohexylbenzimidazol-1-yl)propan-1-ol?
The InChIKey is DXYQOUIUEIVIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O/c17-13-7-8-15-14(11-13)18-16(19(15)9-4-10-20)12-5-2-1-3-6-12/h7-8,11-12,20H,1-6,9-10H2.
What are the key properties of 3-(5-chloro-2-cyclohexylbenzimidazol-1-yl)propan-1-ol?
3-(5-chloro-2-cyclohexylbenzimidazol-1-yl)propan-1-ol has a molecular weight of 292.81 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-cyclohexylbenzimidazol-1-yl)propan-1-ol is sourced from PubChem (CID 13105617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).