1-[(2-chloro-4-methylphenyl)methyl]-3-methylbenzimidazol-2-one

C16H15ClN2O — CID 106869994

IUPAC1-[(2-chloro-4-methylphenyl)methyl]-3-methylbenzimidazol-2-one
SMILESCc1ccc(Cn2c(=O)n(C)c3ccccc32)c(Cl)c1
InChIInChI=1S/C16H15ClN2O/c1-11-7-8-12(13(17)9-11)10-19-15-6-4-3-5-14(15)18(2)16(19)20/h3-9H,10H2,1-2H3
InChIKeyPIZCYRQNGJOHFJ-UHFFFAOYSA-N
MW286.76 g/mol
LogP3.35
Rot. Bonds2

About 1-[(2-chloro-4-methylphenyl)methyl]-3-methylbenzimidazol-2-one

1-[(2-chloro-4-methylphenyl)methyl]-3-methylbenzimidazol-2-one (PubChem CID 106869994) has the molecular formula C16H15ClN2O and a molecular weight of 286.76 g/mol. Its IUPAC name is 1-[(2-chloro-4-methylphenyl)methyl]-3-methylbenzimidazol-2-one.

Molecular Properties

Compound Name1-[(2-chloro-4-methylphenyl)methyl]-3-methylbenzimidazol-2-one
PubChem CID106869994
Molecular FormulaC16H15ClN2O
Molecular Weight286.76 g/mol
Exact Mass286.09
IUPAC Name1-[(2-chloro-4-methylphenyl)methyl]-3-methylbenzimidazol-2-one
SMILESCc1ccc(Cn2c(=O)n(C)c3ccccc32)c(Cl)c1
InChIInChI=1S/C16H15ClN2O/c1-11-7-8-12(13(17)9-11)10-19-15-6-4-3-5-14(15)18(2)16(19)20/h3-9H,10H2,1-2H3
InChIKeyPIZCYRQNGJOHFJ-UHFFFAOYSA-N
XLogP3.35
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2,3-dichlorophenyl)methyl]-3-methylbenzimidazol-2-one
CID 107310149
1-[(2-chlorophenyl)methyl]-3-methylquinazoline-2,4-dione
CID 944822
3-[(2,4-dichlorophenyl)methyl]-1-methyl-2-oxobenzimidazole-5-carboxylic acid
CID 22387851
1-[[4-(bromomethyl)phenyl]methyl]-3-methylbenzimidazol-2-one
CID 142914206
1-[(5-fluoro-2-methoxyphenyl)methyl]-3-methylbenzimidazol-2-one
CID 24609427
1-[(2-chloro-4-methylphenyl)methyl]-4-methylpiperazine
CID 121478180
1-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]benzimidazol-2-one
CID 113220147
3-[(2-chlorophenyl)methyl]-1-[(4-methylphenyl)methyl]quinazoline-2,4-dione
CID 15988071
4-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]benzoic acid
CID 43628513
1-[(2-chloro-4-methylphenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile
CID 107072981
1-methyl-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]benzimidazol-2-one
CID 116621162
4-chloro-1-[(2-chloro-4-methylphenyl)methyl]indole
CID 106870007

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-4-methylphenyl)methyl]-3-methylbenzimidazol-2-one?
The IUPAC name of 1-[(2-chloro-4-methylphenyl)methyl]-3-methylbenzimidazol-2-one (CID 106869994) is 1-[(2-chloro-4-methylphenyl)methyl]-3-methylbenzimidazol-2-one.
What is the SMILES notation for 1-[(2-chloro-4-methylphenyl)methyl]-3-methylbenzimidazol-2-one?
The canonical SMILES for 1-[(2-chloro-4-methylphenyl)methyl]-3-methylbenzimidazol-2-one is Cc1ccc(Cn2c(=O)n(C)c3ccccc32)c(Cl)c1.
What is the InChIKey of 1-[(2-chloro-4-methylphenyl)methyl]-3-methylbenzimidazol-2-one?
The InChIKey is PIZCYRQNGJOHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O/c1-11-7-8-12(13(17)9-11)10-19-15-6-4-3-5-14(15)18(2)16(19)20/h3-9H,10H2,1-2H3.
What are the key properties of 1-[(2-chloro-4-methylphenyl)methyl]-3-methylbenzimidazol-2-one?
1-[(2-chloro-4-methylphenyl)methyl]-3-methylbenzimidazol-2-one has a molecular weight of 286.76 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-4-methylphenyl)methyl]-3-methylbenzimidazol-2-one is sourced from PubChem (CID 106869994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).