5-chloro-3-(cyclohexylmethyl)-1H-benzimidazol-2-one

C14H17ClN2O — CID 5276384

IUPAC5-chloro-3-(cyclohexylmethyl)-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccc(Cl)cc2n1CC1CCCCC1
InChIInChI=1S/C14H17ClN2O/c15-11-6-7-12-13(8-11)17(14(18)16-12)9-10-4-2-1-3-5-10/h6-8,10H,1-5,9H2,(H,16,18)
InChIKeyMCNHWLILAIRSOX-UHFFFAOYSA-N
MW264.76 g/mol
LogP3.56
Rot. Bonds2

About 5-chloro-3-(cyclohexylmethyl)-1H-benzimidazol-2-one

5-chloro-3-(cyclohexylmethyl)-1H-benzimidazol-2-one (PubChem CID 5276384) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is 5-chloro-3-(cyclohexylmethyl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name5-chloro-3-(cyclohexylmethyl)-1H-benzimidazol-2-one
PubChem CID5276384
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name5-chloro-3-(cyclohexylmethyl)-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccc(Cl)cc2n1CC1CCCCC1
InChIInChI=1S/C14H17ClN2O/c15-11-6-7-12-13(8-11)17(14(18)16-12)9-10-4-2-1-3-5-10/h6-8,10H,1-5,9H2,(H,16,18)
InChIKeyMCNHWLILAIRSOX-UHFFFAOYSA-N
XLogP3.56
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(cyclohexylmethyl)-1H-benzimidazol-2-one?
The IUPAC name of 5-chloro-3-(cyclohexylmethyl)-1H-benzimidazol-2-one (CID 5276384) is 5-chloro-3-(cyclohexylmethyl)-1H-benzimidazol-2-one.
What is the SMILES notation for 5-chloro-3-(cyclohexylmethyl)-1H-benzimidazol-2-one?
The canonical SMILES for 5-chloro-3-(cyclohexylmethyl)-1H-benzimidazol-2-one is O=c1[nH]c2ccc(Cl)cc2n1CC1CCCCC1.
What is the InChIKey of 5-chloro-3-(cyclohexylmethyl)-1H-benzimidazol-2-one?
The InChIKey is MCNHWLILAIRSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c15-11-6-7-12-13(8-11)17(14(18)16-12)9-10-4-2-1-3-5-10/h6-8,10H,1-5,9H2,(H,16,18).
What are the key properties of 5-chloro-3-(cyclohexylmethyl)-1H-benzimidazol-2-one?
5-chloro-3-(cyclohexylmethyl)-1H-benzimidazol-2-one has a molecular weight of 264.76 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(cyclohexylmethyl)-1H-benzimidazol-2-one is sourced from PubChem (CID 5276384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).