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

C14H11ClN2O — CID 3061797

IUPAC5-chloro-3-(2-methylphenyl)-1H-benzimidazol-2-one
SMILESCc1ccccc1-n1c(=O)[nH]c2ccc(Cl)cc21
InChIInChI=1S/C14H11ClN2O/c1-9-4-2-3-5-12(9)17-13-8-10(15)6-7-11(13)16-14(17)18/h2-8H,1H3,(H,16,18)
InChIKeyASFOKEILHOHFFD-UHFFFAOYSA-N
MW258.71 g/mol
LogP3.28
Rot. Bonds1

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

5-chloro-3-(2-methylphenyl)-1H-benzimidazol-2-one (PubChem CID 3061797) has the molecular formula C14H11ClN2O and a molecular weight of 258.71 g/mol. Its IUPAC name is 5-chloro-3-(2-methylphenyl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name5-chloro-3-(2-methylphenyl)-1H-benzimidazol-2-one
PubChem CID3061797
Molecular FormulaC14H11ClN2O
Molecular Weight258.71 g/mol
Exact Mass258.06
IUPAC Name5-chloro-3-(2-methylphenyl)-1H-benzimidazol-2-one
SMILESCc1ccccc1-n1c(=O)[nH]c2ccc(Cl)cc21
InChIInChI=1S/C14H11ClN2O/c1-9-4-2-3-5-12(9)17-13-8-10(15)6-7-11(13)16-14(17)18/h2-8H,1H3,(H,16,18)
InChIKeyASFOKEILHOHFFD-UHFFFAOYSA-N
XLogP3.28
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(2-methylphenyl)-1H-benzimidazol-2-one?
The IUPAC name of 5-chloro-3-(2-methylphenyl)-1H-benzimidazol-2-one (CID 3061797) is 5-chloro-3-(2-methylphenyl)-1H-benzimidazol-2-one.
What is the SMILES notation for 5-chloro-3-(2-methylphenyl)-1H-benzimidazol-2-one?
The canonical SMILES for 5-chloro-3-(2-methylphenyl)-1H-benzimidazol-2-one is Cc1ccccc1-n1c(=O)[nH]c2ccc(Cl)cc21.
What is the InChIKey of 5-chloro-3-(2-methylphenyl)-1H-benzimidazol-2-one?
The InChIKey is ASFOKEILHOHFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O/c1-9-4-2-3-5-12(9)17-13-8-10(15)6-7-11(13)16-14(17)18/h2-8H,1H3,(H,16,18).
What are the key properties of 5-chloro-3-(2-methylphenyl)-1H-benzimidazol-2-one?
5-chloro-3-(2-methylphenyl)-1H-benzimidazol-2-one has a molecular weight of 258.71 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(2-methylphenyl)-1H-benzimidazol-2-one is sourced from PubChem (CID 3061797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).