5-(3-chlorophenyl)-3-methyl-1H-benzimidazol-2-one

C14H11ClN2O — CID 10220791

IUPAC5-(3-chlorophenyl)-3-methyl-1H-benzimidazol-2-one
SMILESCn1c(=O)[nH]c2ccc(-c3cccc(Cl)c3)cc21
InChIInChI=1S/C14H11ClN2O/c1-17-13-8-10(5-6-12(13)16-14(17)18)9-3-2-4-11(15)7-9/h2-8H,1H3,(H,16,18)
InChIKeyFGNYMMLWFUHMRU-UHFFFAOYSA-N
MW258.71 g/mol
LogP3.19
Rot. Bonds1

About 5-(3-chlorophenyl)-3-methyl-1H-benzimidazol-2-one

5-(3-chlorophenyl)-3-methyl-1H-benzimidazol-2-one (PubChem CID 10220791) has the molecular formula C14H11ClN2O and a molecular weight of 258.71 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-3-methyl-1H-benzimidazol-2-one.

Molecular Properties

Compound Name5-(3-chlorophenyl)-3-methyl-1H-benzimidazol-2-one
PubChem CID10220791
Molecular FormulaC14H11ClN2O
Molecular Weight258.71 g/mol
Exact Mass258.06
IUPAC Name5-(3-chlorophenyl)-3-methyl-1H-benzimidazol-2-one
SMILESCn1c(=O)[nH]c2ccc(-c3cccc(Cl)c3)cc21
InChIInChI=1S/C14H11ClN2O/c1-17-13-8-10(5-6-12(13)16-14(17)18)9-3-2-4-11(15)7-9/h2-8H,1H3,(H,16,18)
InChIKeyFGNYMMLWFUHMRU-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-3-methyl-1H-benzimidazol-2-one?
The IUPAC name of 5-(3-chlorophenyl)-3-methyl-1H-benzimidazol-2-one (CID 10220791) is 5-(3-chlorophenyl)-3-methyl-1H-benzimidazol-2-one.
What is the SMILES notation for 5-(3-chlorophenyl)-3-methyl-1H-benzimidazol-2-one?
The canonical SMILES for 5-(3-chlorophenyl)-3-methyl-1H-benzimidazol-2-one is Cn1c(=O)[nH]c2ccc(-c3cccc(Cl)c3)cc21.
What is the InChIKey of 5-(3-chlorophenyl)-3-methyl-1H-benzimidazol-2-one?
The InChIKey is FGNYMMLWFUHMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O/c1-17-13-8-10(5-6-12(13)16-14(17)18)9-3-2-4-11(15)7-9/h2-8H,1H3,(H,16,18).
What are the key properties of 5-(3-chlorophenyl)-3-methyl-1H-benzimidazol-2-one?
5-(3-chlorophenyl)-3-methyl-1H-benzimidazol-2-one has a molecular weight of 258.71 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-3-methyl-1H-benzimidazol-2-one is sourced from PubChem (CID 10220791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).