7-methyl-3-[(3-methylphenyl)methyl]-1H-benzimidazol-2-one

C16H16N2O — CID 117206645

IUPAC7-methyl-3-[(3-methylphenyl)methyl]-1H-benzimidazol-2-one
SMILESCc1cccc(Cn2c(=O)[nH]c3c(C)cccc32)c1
InChIInChI=1S/C16H16N2O/c1-11-5-3-7-13(9-11)10-18-14-8-4-6-12(2)15(14)17-16(18)19/h3-9H,10H2,1-2H3,(H,17,19)
InChIKeySYNNZBWVAKOIEU-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.99
Rot. Bonds2

About 7-methyl-3-[(3-methylphenyl)methyl]-1H-benzimidazol-2-one

7-methyl-3-[(3-methylphenyl)methyl]-1H-benzimidazol-2-one (PubChem CID 117206645) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 7-methyl-3-[(3-methylphenyl)methyl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name7-methyl-3-[(3-methylphenyl)methyl]-1H-benzimidazol-2-one
PubChem CID117206645
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name7-methyl-3-[(3-methylphenyl)methyl]-1H-benzimidazol-2-one
SMILESCc1cccc(Cn2c(=O)[nH]c3c(C)cccc32)c1
InChIInChI=1S/C16H16N2O/c1-11-5-3-7-13(9-11)10-18-14-8-4-6-12(2)15(14)17-16(18)19/h3-9H,10H2,1-2H3,(H,17,19)
InChIKeySYNNZBWVAKOIEU-UHFFFAOYSA-N
XLogP2.99
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-fluorophenyl)methyl]-7-methyl-1H-benzimidazol-2-one
CID 117206721
3-[(4-hydroxyphenyl)methyl]-7-methyl-1H-benzimidazol-2-one
CID 117206724
3-(2,2-dimethylpropyl)-7-methyl-1H-benzimidazol-2-one
CID 117206757
7-chloro-3-[(3-chlorophenyl)methyl]-1H-benzimidazol-2-one
CID 117206660
methane;9-[(3-methylphenyl)methyl]carbazole
CID 159308792
3-cyclopropyl-4-[(3-methylphenyl)methyl]-1H-1,2,4-triazol-5-one
CID 50956393
5-bromo-1-[(3-methylphenyl)methyl]pyrimidine-2,4-dione
CID 63778005
3-(3,4-dimethylphenyl)-1-[(3-methylphenyl)methyl]quinazoline-2,4-dione
CID 95922194
1-[(3-methylphenyl)methyl]pyrrole-2,5-dione
CID 22989002
1-[(4-bromophenyl)methyl]-2-oxo-3H-benzimidazole-4-carboxylic acid
CID 115541216
3-benzyl-7-propoxy-1H-benzimidazol-2-one
CID 91806779
7-methyl-3-(pyridin-4-ylmethyl)-1H-benzimidazole-2-thione
CID 114041539

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-[(3-methylphenyl)methyl]-1H-benzimidazol-2-one?
The IUPAC name of 7-methyl-3-[(3-methylphenyl)methyl]-1H-benzimidazol-2-one (CID 117206645) is 7-methyl-3-[(3-methylphenyl)methyl]-1H-benzimidazol-2-one.
What is the SMILES notation for 7-methyl-3-[(3-methylphenyl)methyl]-1H-benzimidazol-2-one?
The canonical SMILES for 7-methyl-3-[(3-methylphenyl)methyl]-1H-benzimidazol-2-one is Cc1cccc(Cn2c(=O)[nH]c3c(C)cccc32)c1.
What is the InChIKey of 7-methyl-3-[(3-methylphenyl)methyl]-1H-benzimidazol-2-one?
The InChIKey is SYNNZBWVAKOIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-11-5-3-7-13(9-11)10-18-14-8-4-6-12(2)15(14)17-16(18)19/h3-9H,10H2,1-2H3,(H,17,19).
What are the key properties of 7-methyl-3-[(3-methylphenyl)methyl]-1H-benzimidazol-2-one?
7-methyl-3-[(3-methylphenyl)methyl]-1H-benzimidazol-2-one has a molecular weight of 252.32 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-[(3-methylphenyl)methyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 117206645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).