1-(3-bromo-4-methylphenyl)-7-methylbenzimidazol-2-amine

C15H14BrN3 — CID 115552506

IUPAC1-(3-bromo-4-methylphenyl)-7-methylbenzimidazol-2-amine
SMILESCc1ccc(-n2c(N)nc3cccc(C)c32)cc1Br
InChIInChI=1S/C15H14BrN3/c1-9-6-7-11(8-12(9)16)19-14-10(2)4-3-5-13(14)18-15(19)17/h3-8H,1-2H3,(H2,17,18)
InChIKeyFCRYPRDBHMBKEI-UHFFFAOYSA-N
MW316.20 g/mol
LogP3.99
Rot. Bonds1

About 1-(3-bromo-4-methylphenyl)-7-methylbenzimidazol-2-amine

1-(3-bromo-4-methylphenyl)-7-methylbenzimidazol-2-amine (PubChem CID 115552506) has the molecular formula C15H14BrN3 and a molecular weight of 316.20 g/mol. Its IUPAC name is 1-(3-bromo-4-methylphenyl)-7-methylbenzimidazol-2-amine.

Molecular Properties

Compound Name1-(3-bromo-4-methylphenyl)-7-methylbenzimidazol-2-amine
PubChem CID115552506
Molecular FormulaC15H14BrN3
Molecular Weight316.20 g/mol
Exact Mass315.04
IUPAC Name1-(3-bromo-4-methylphenyl)-7-methylbenzimidazol-2-amine
SMILESCc1ccc(-n2c(N)nc3cccc(C)c32)cc1Br
InChIInChI=1S/C15H14BrN3/c1-9-6-7-11(8-12(9)16)19-14-10(2)4-3-5-13(14)18-15(19)17/h3-8H,1-2H3,(H2,17,18)
InChIKeyFCRYPRDBHMBKEI-UHFFFAOYSA-N
XLogP3.99
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxyphenyl)-7-methylbenzimidazol-2-amine
CID 115552236
1-(3-bromo-4-methylphenyl)-2-(2-chloroethyl)-7-methylbenzimidazole
CID 115553491
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methylbenzimidazol-2-amine
CID 115552214
1-(2-bromo-4-chlorophenyl)-7-methylbenzimidazol-2-amine
CID 115552616
3-(3-bromo-4-methylphenyl)-6-methylimidazo[4,5-b]pyridin-2-amine
CID 79301195
1-(4-bromo-2-fluorophenyl)-7-methylbenzimidazol-2-amine
CID 115552268
7-methyl-1-(2,4,5-trichlorophenyl)benzimidazol-2-amine
CID 115552270
2-amino-3-(4-methylphenyl)benzimidazol-4-ol
CID 84799605
1-(3-bromo-4-fluorophenyl)-2-(chloromethyl)-7-methylbenzimidazole
CID 104780082
1,7-dimethylbenzimidazol-2-amine;ethane
CID 170767427
1-(4-chloro-2-fluorophenyl)-7-methylbenzimidazol-2-amine
CID 115552345
1-(2,5-difluorophenyl)-7-methylbenzimidazol-2-amine
CID 115552264

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methylphenyl)-7-methylbenzimidazol-2-amine?
The IUPAC name of 1-(3-bromo-4-methylphenyl)-7-methylbenzimidazol-2-amine (CID 115552506) is 1-(3-bromo-4-methylphenyl)-7-methylbenzimidazol-2-amine.
What is the SMILES notation for 1-(3-bromo-4-methylphenyl)-7-methylbenzimidazol-2-amine?
The canonical SMILES for 1-(3-bromo-4-methylphenyl)-7-methylbenzimidazol-2-amine is Cc1ccc(-n2c(N)nc3cccc(C)c32)cc1Br.
What is the InChIKey of 1-(3-bromo-4-methylphenyl)-7-methylbenzimidazol-2-amine?
The InChIKey is FCRYPRDBHMBKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3/c1-9-6-7-11(8-12(9)16)19-14-10(2)4-3-5-13(14)18-15(19)17/h3-8H,1-2H3,(H2,17,18).
What are the key properties of 1-(3-bromo-4-methylphenyl)-7-methylbenzimidazol-2-amine?
1-(3-bromo-4-methylphenyl)-7-methylbenzimidazol-2-amine has a molecular weight of 316.20 g/mol, XLogP of 3.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methylphenyl)-7-methylbenzimidazol-2-amine is sourced from PubChem (CID 115552506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).