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

C15H11BrN2O2 — CID 107981626

IUPAC5-(2-bromo-3-methylbenzoyl)-1,3-dihydrobenzimidazol-2-one
SMILESCc1cccc(C(=O)c2ccc3[nH]c(=O)[nH]c3c2)c1Br
InChIInChI=1S/C15H11BrN2O2/c1-8-3-2-4-10(13(8)16)14(19)9-5-6-11-12(7-9)18-15(20)17-11/h2-7H,1H3,(H2,17,18,20)
InChIKeyZLGGJTSVVRPGLL-UHFFFAOYSA-N
MW331.17 g/mol
LogP3.16
Rot. Bonds2

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

5-(2-bromo-3-methylbenzoyl)-1,3-dihydrobenzimidazol-2-one (PubChem CID 107981626) has the molecular formula C15H11BrN2O2 and a molecular weight of 331.17 g/mol. Its IUPAC name is 5-(2-bromo-3-methylbenzoyl)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-(2-bromo-3-methylbenzoyl)-1,3-dihydrobenzimidazol-2-one
PubChem CID107981626
Molecular FormulaC15H11BrN2O2
Molecular Weight331.17 g/mol
Exact Mass330.00
IUPAC Name5-(2-bromo-3-methylbenzoyl)-1,3-dihydrobenzimidazol-2-one
SMILESCc1cccc(C(=O)c2ccc3[nH]c(=O)[nH]c3c2)c1Br
InChIInChI=1S/C15H11BrN2O2/c1-8-3-2-4-10(13(8)16)14(19)9-5-6-11-12(7-9)18-15(20)17-11/h2-7H,1H3,(H2,17,18,20)
InChIKeyZLGGJTSVVRPGLL-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

(2-bromo-3-methylphenyl)-(3-methylphenyl)methanone
CID 107984414
5-(2,3-difluorobenzoyl)-1,3-dihydrobenzimidazol-2-one
CID 62648992
(2-bromo-3-methylphenyl)-(3,5-dimethylphenyl)methanone
CID 114024133
5-(2-amino-3-chlorobenzoyl)-1,3-dihydrobenzimidazol-2-one
CID 115549761
5-bromo-6-(2-methylbenzoyl)-1,3-dihydrobenzimidazol-2-one
CID 62380081
5-[4-(methylamino)benzoyl]-1,3-dihydrobenzimidazol-2-one
CID 116917457
5-benzoyl-1,3-dihydrobenzimidazol-2-one
CID 854379
5-[(2-bromo-3-methylphenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one
CID 107983320
5-(2-bromo-3-methylbenzoyl)-1-methyl-3H-indol-2-one
CID 107981641
N-[4-(2-bromo-3-methylbenzoyl)phenyl]acetamide
CID 107981614
(2-bromo-3-methylphenyl)-(3,5-dimethoxyphenyl)methanone
CID 107984562
5-(5-chloro-2-fluorobenzoyl)-1,3-dihydrobenzimidazol-2-one
CID 43338645

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromo-3-methylbenzoyl)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-(2-bromo-3-methylbenzoyl)-1,3-dihydrobenzimidazol-2-one (CID 107981626) is 5-(2-bromo-3-methylbenzoyl)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-(2-bromo-3-methylbenzoyl)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-(2-bromo-3-methylbenzoyl)-1,3-dihydrobenzimidazol-2-one is Cc1cccc(C(=O)c2ccc3[nH]c(=O)[nH]c3c2)c1Br.
What is the InChIKey of 5-(2-bromo-3-methylbenzoyl)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is ZLGGJTSVVRPGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O2/c1-8-3-2-4-10(13(8)16)14(19)9-5-6-11-12(7-9)18-15(20)17-11/h2-7H,1H3,(H2,17,18,20).
What are the key properties of 5-(2-bromo-3-methylbenzoyl)-1,3-dihydrobenzimidazol-2-one?
5-(2-bromo-3-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-(2-bromo-3-methylbenzoyl)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 107981626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).