5-bromo-6-[(3-methylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one

C15H14BrN3O — CID 43230523

IUPAC5-bromo-6-[(3-methylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
SMILESCc1cccc(CNc2cc3[nH]c(=O)[nH]c3cc2Br)c1
InChIInChI=1S/C15H14BrN3O/c1-9-3-2-4-10(5-9)8-17-12-7-14-13(6-11(12)16)18-15(20)19-14/h2-7,17H,8H2,1H3,(H2,18,19,20)
InChIKeyDNGZHWKRZVHEJW-UHFFFAOYSA-N
MW332.20 g/mol
LogP3.54
Rot. Bonds3

About 5-bromo-6-[(3-methylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one

5-bromo-6-[(3-methylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one (PubChem CID 43230523) has the molecular formula C15H14BrN3O and a molecular weight of 332.20 g/mol. Its IUPAC name is 5-bromo-6-[(3-methylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-bromo-6-[(3-methylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
PubChem CID43230523
Molecular FormulaC15H14BrN3O
Molecular Weight332.20 g/mol
Exact Mass331.03
IUPAC Name5-bromo-6-[(3-methylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
SMILESCc1cccc(CNc2cc3[nH]c(=O)[nH]c3cc2Br)c1
InChIInChI=1S/C15H14BrN3O/c1-9-3-2-4-10(5-9)8-17-12-7-14-13(6-11(12)16)18-15(20)19-14/h2-7,17H,8H2,1H3,(H2,18,19,20)
InChIKeyDNGZHWKRZVHEJW-UHFFFAOYSA-N
XLogP3.54
TPSA60.68 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.20
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-6-[(3-chlorophenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
CID 43230508
5-bromo-6-[(3,4-dimethylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
CID 43790101
5-bromo-6-[(4-bromo-3-methylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
CID 66474217
3-(3-methylphenyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]propanamide
CID 110785273
2-bromo-N-[(3-bromophenyl)methyl]-5-methylaniline
CID 82762195
3-[(2-bromo-4-methylanilino)methyl]benzoic acid
CID 103231664
5-bromo-6-[(5-chloro-2-fluorophenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
CID 114841957
4-bromo-2-[(3-methylphenyl)methylamino]benzoic acid
CID 114907249
2,4,6-tribromo-N-[(3-methylphenyl)methyl]aniline
CID 28991909
1-[4-[(3-methylphenyl)methylamino]-1H-pyrrol-3-yl]ethanone
CID 143682069
2-bromo-3-fluoro-4-[(3-methylphenyl)methylamino]benzoic acid
CID 107539980
N-benzyl-2-bromo-4-methylaniline
CID 11242845

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-[(3-methylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-bromo-6-[(3-methylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one (CID 43230523) is 5-bromo-6-[(3-methylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-bromo-6-[(3-methylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-bromo-6-[(3-methylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one is Cc1cccc(CNc2cc3[nH]c(=O)[nH]c3cc2Br)c1.
What is the InChIKey of 5-bromo-6-[(3-methylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is DNGZHWKRZVHEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O/c1-9-3-2-4-10(5-9)8-17-12-7-14-13(6-11(12)16)18-15(20)19-14/h2-7,17H,8H2,1H3,(H2,18,19,20).
What are the key properties of 5-bromo-6-[(3-methylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one?
5-bromo-6-[(3-methylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 332.20 g/mol, XLogP of 3.54, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-[(3-methylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 43230523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).