(4-bromo-1,6-dimethylbenzimidazol-2-yl)methanamine

C10H12BrN3 — CID 84635115

IUPAC(4-bromo-1,6-dimethylbenzimidazol-2-yl)methanamine
SMILESCc1cc(Br)c2nc(CN)n(C)c2c1
InChIInChI=1S/C10H12BrN3/c1-6-3-7(11)10-8(4-6)14(2)9(5-12)13-10/h3-4H,5,12H2,1-2H3
InChIKeyXUHJLSUPZWOVFN-UHFFFAOYSA-N
MW254.13 g/mol
LogP2.10
Rot. Bonds1

About (4-bromo-1,6-dimethylbenzimidazol-2-yl)methanamine

(4-bromo-1,6-dimethylbenzimidazol-2-yl)methanamine (PubChem CID 84635115) has the molecular formula C10H12BrN3 and a molecular weight of 254.13 g/mol. Its IUPAC name is (4-bromo-1,6-dimethylbenzimidazol-2-yl)methanamine.

Molecular Properties

Compound Name(4-bromo-1,6-dimethylbenzimidazol-2-yl)methanamine
PubChem CID84635115
Molecular FormulaC10H12BrN3
Molecular Weight254.13 g/mol
Exact Mass253.02
IUPAC Name(4-bromo-1,6-dimethylbenzimidazol-2-yl)methanamine
SMILESCc1cc(Br)c2nc(CN)n(C)c2c1
InChIInChI=1S/C10H12BrN3/c1-6-3-7(11)10-8(4-6)14(2)9(5-12)13-10/h3-4H,5,12H2,1-2H3
InChIKeyXUHJLSUPZWOVFN-UHFFFAOYSA-N
XLogP2.10
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-bromo-1,6-dimethylbenzimidazol-2-yl)methyl]propan-2-amine
CID 84644324
(4-bromo-1,6-dimethylbenzimidazol-2-yl)hydrazine
CID 84635551
2-(4-bromo-1,6-dimethylbenzimidazol-2-yl)propan-2-amine
CID 84642999
4-bromo-1,6-dimethylbenzimidazole-2-carbaldehyde
CID 84634849
(6-chloro-1,4-dimethylbenzimidazol-2-yl)methanamine
CID 84621320
(1,4,5-trimethylbenzimidazol-2-yl)methanamine
CID 84618787
4-bromo-1,6-dimethylbenzimidazole
CID 68775248
(1-methyl-4-propan-2-ylbenzimidazol-2-yl)methanamine
CID 84620078
[1-(2,6-dibromo-4-methylphenyl)tetrazol-5-yl]methanamine
CID 62735723
4-bromo-2,6-dimethyl-1-(2-methylphenyl)benzimidazole
CID 134857704
1,2,4,6-tetramethylbenzimidazole
CID 58565379
[5-bromo-4-[2-(2,5-dimethylphenyl)ethyl]-1-methylimidazol-2-yl]methanamine
CID 84604929

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1,6-dimethylbenzimidazol-2-yl)methanamine?
The IUPAC name of (4-bromo-1,6-dimethylbenzimidazol-2-yl)methanamine (CID 84635115) is (4-bromo-1,6-dimethylbenzimidazol-2-yl)methanamine.
What is the SMILES notation for (4-bromo-1,6-dimethylbenzimidazol-2-yl)methanamine?
The canonical SMILES for (4-bromo-1,6-dimethylbenzimidazol-2-yl)methanamine is Cc1cc(Br)c2nc(CN)n(C)c2c1.
What is the InChIKey of (4-bromo-1,6-dimethylbenzimidazol-2-yl)methanamine?
The InChIKey is XUHJLSUPZWOVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3/c1-6-3-7(11)10-8(4-6)14(2)9(5-12)13-10/h3-4H,5,12H2,1-2H3.
What are the key properties of (4-bromo-1,6-dimethylbenzimidazol-2-yl)methanamine?
(4-bromo-1,6-dimethylbenzimidazol-2-yl)methanamine has a molecular weight of 254.13 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1,6-dimethylbenzimidazol-2-yl)methanamine is sourced from PubChem (CID 84635115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).