1-[(4-bromophenyl)methyl]-7-methylbenzimidazol-2-amine

C15H14BrN3 — CID 115552239

IUPAC1-[(4-bromophenyl)methyl]-7-methylbenzimidazol-2-amine
SMILESCc1cccc2nc(N)n(Cc3ccc(Br)cc3)c12
InChIInChI=1S/C15H14BrN3/c1-10-3-2-4-13-14(10)19(15(17)18-13)9-11-5-7-12(16)8-6-11/h2-8H,9H2,1H3,(H2,17,18)
InChIKeyBBOMLPUKKKPPRM-UHFFFAOYSA-N
MW316.20 g/mol
LogP3.74
Rot. Bonds2

About 1-[(4-bromophenyl)methyl]-7-methylbenzimidazol-2-amine

1-[(4-bromophenyl)methyl]-7-methylbenzimidazol-2-amine (PubChem CID 115552239) has the molecular formula C15H14BrN3 and a molecular weight of 316.20 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]-7-methylbenzimidazol-2-amine.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]-7-methylbenzimidazol-2-amine
PubChem CID115552239
Molecular FormulaC15H14BrN3
Molecular Weight316.20 g/mol
Exact Mass315.04
IUPAC Name1-[(4-bromophenyl)methyl]-7-methylbenzimidazol-2-amine
SMILESCc1cccc2nc(N)n(Cc3ccc(Br)cc3)c12
InChIInChI=1S/C15H14BrN3/c1-10-3-2-4-13-14(10)19(15(17)18-13)9-11-5-7-12(16)8-6-11/h2-8H,9H2,1H3,(H2,17,18)
InChIKeyBBOMLPUKKKPPRM-UHFFFAOYSA-N
XLogP3.74
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-methyl-1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-amine
CID 115552424
4-[(2-amino-7-methylbenzimidazol-1-yl)methyl]benzonitrile
CID 115552449
7-methyl-1-[(3-methylthiophen-2-yl)methyl]benzimidazol-2-amine
CID 115552599
1-[2-(dimethylamino)ethyl]-7-methylbenzimidazol-2-amine
CID 115552143
7-methyl-1-(3-methylsulfonylpropyl)benzimidazol-2-amine
CID 115552409
7-methyl-1-(2-methylsulfonylethyl)benzimidazol-2-amine
CID 115552322
1-[(3-ethylthiophen-2-yl)methyl]-7-methylbenzimidazol-2-amine
CID 115552600
1-(3-methoxypropyl)-7-methylbenzimidazol-2-amine
CID 115552278
2-(chloromethyl)-1-[(4-ethylphenyl)methyl]-7-methylbenzimidazole
CID 106900384
1-[2-(3,5-difluorophenyl)ethyl]-7-methylbenzimidazol-2-amine
CID 115552468
3-[(4-bromophenyl)methyl]-7-methylimidazo[4,5-b]pyridin-2-amine
CID 79288588
1-(4-bromo-2-fluorophenyl)-7-methylbenzimidazol-2-amine
CID 115552268

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]-7-methylbenzimidazol-2-amine?
The IUPAC name of 1-[(4-bromophenyl)methyl]-7-methylbenzimidazol-2-amine (CID 115552239) is 1-[(4-bromophenyl)methyl]-7-methylbenzimidazol-2-amine.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]-7-methylbenzimidazol-2-amine?
The canonical SMILES for 1-[(4-bromophenyl)methyl]-7-methylbenzimidazol-2-amine is Cc1cccc2nc(N)n(Cc3ccc(Br)cc3)c12.
What is the InChIKey of 1-[(4-bromophenyl)methyl]-7-methylbenzimidazol-2-amine?
The InChIKey is BBOMLPUKKKPPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3/c1-10-3-2-4-13-14(10)19(15(17)18-13)9-11-5-7-12(16)8-6-11/h2-8H,9H2,1H3,(H2,17,18).
What are the key properties of 1-[(4-bromophenyl)methyl]-7-methylbenzimidazol-2-amine?
1-[(4-bromophenyl)methyl]-7-methylbenzimidazol-2-amine has a molecular weight of 316.20 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methyl]-7-methylbenzimidazol-2-amine is sourced from PubChem (CID 115552239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).