5-bromo-6-(2-methylbenzoyl)-1,3-dihydrobenzimidazol-2-one

C15H11BrN2O2 — CID 62380081

IUPAC5-bromo-6-(2-methylbenzoyl)-1,3-dihydrobenzimidazol-2-one
SMILESCc1ccccc1C(=O)c1cc2[nH]c(=O)[nH]c2cc1Br
InChIInChI=1S/C15H11BrN2O2/c1-8-4-2-3-5-9(8)14(19)10-6-12-13(7-11(10)16)18-15(20)17-12/h2-7H,1H3,(H2,17,18,20)
InChIKeySNCGUMRBJAAYAJ-UHFFFAOYSA-N
MW331.17 g/mol
LogP3.16
Rot. Bonds2

About 5-bromo-6-(2-methylbenzoyl)-1,3-dihydrobenzimidazol-2-one

5-bromo-6-(2-methylbenzoyl)-1,3-dihydrobenzimidazol-2-one (PubChem CID 62380081) has the molecular formula C15H11BrN2O2 and a molecular weight of 331.17 g/mol. Its IUPAC name is 5-bromo-6-(2-methylbenzoyl)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-bromo-6-(2-methylbenzoyl)-1,3-dihydrobenzimidazol-2-one
PubChem CID62380081
Molecular FormulaC15H11BrN2O2
Molecular Weight331.17 g/mol
Exact Mass330.00
IUPAC Name5-bromo-6-(2-methylbenzoyl)-1,3-dihydrobenzimidazol-2-one
SMILESCc1ccccc1C(=O)c1cc2[nH]c(=O)[nH]c2cc1Br
InChIInChI=1S/C15H11BrN2O2/c1-8-4-2-3-5-9(8)14(19)10-6-12-13(7-11(10)16)18-15(20)17-12/h2-7H,1H3,(H2,17,18,20)
InChIKeySNCGUMRBJAAYAJ-UHFFFAOYSA-N
XLogP3.16
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.17
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-6-(3-chloro-2-methylbenzoyl)-1,3-dihydrobenzimidazol-2-one
CID 107096175
5-bromo-6-(3-methylthiophene-2-carbonyl)-1,3-dihydrobenzimidazol-2-one
CID 62381368
5-bromo-6-(2,5-dimethylfuran-3-carbonyl)-1,3-dihydrobenzimidazol-2-one
CID 62381370
5-bromo-6-(2,2,3,3-tetramethylcyclopropanecarbonyl)-1,3-dihydrobenzimidazol-2-one
CID 66475525
(2,5-dibromophenyl)-(2-methylphenyl)methanone
CID 114962947
5-(2-bromo-3-methylbenzoyl)-1,3-dihydrobenzimidazol-2-one
CID 107981626
[2-(2-methylbenzoyl)phenyl]-(2-methylphenyl)methanone
CID 15597717
(4-bromo-2-methylphenyl)-(2-methylphenyl)methanone
CID 11150419
(2-bromophenyl)-(2,5-dibromo-4-methylphenyl)methanone
CID 81468585
ethyl 2-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-oxoacetate
CID 62374908
4-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-oxobutanoic acid
CID 62381373
5-bromo-6-[1-bromo-2-(2-methylphenyl)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 63447544

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(2-methylbenzoyl)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-bromo-6-(2-methylbenzoyl)-1,3-dihydrobenzimidazol-2-one (CID 62380081) is 5-bromo-6-(2-methylbenzoyl)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-bromo-6-(2-methylbenzoyl)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-bromo-6-(2-methylbenzoyl)-1,3-dihydrobenzimidazol-2-one is Cc1ccccc1C(=O)c1cc2[nH]c(=O)[nH]c2cc1Br.
What is the InChIKey of 5-bromo-6-(2-methylbenzoyl)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is SNCGUMRBJAAYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O2/c1-8-4-2-3-5-9(8)14(19)10-6-12-13(7-11(10)16)18-15(20)17-12/h2-7H,1H3,(H2,17,18,20).
What are the key properties of 5-bromo-6-(2-methylbenzoyl)-1,3-dihydrobenzimidazol-2-one?
5-bromo-6-(2-methylbenzoyl)-1,3-dihydrobenzimidazol-2-one has a molecular weight of 331.17 g/mol, XLogP of 3.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(2-methylbenzoyl)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 62380081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).