[4-bromo-1-methyl-5-(2-methyl-3H-benzimidazol-5-yl)imidazol-2-yl]methanamine

C13H14BrN5 — CID 84604081

IUPAC[4-bromo-1-methyl-5-(2-methyl-3H-benzimidazol-5-yl)imidazol-2-yl]methanamine
SMILESCc1nc2ccc(-c3c(Br)nc(CN)n3C)cc2[nH]1
InChIInChI=1S/C13H14BrN5/c1-7-16-9-4-3-8(5-10(9)17-7)12-13(14)18-11(6-15)19(12)2/h3-5H,6,15H2,1-2H3,(H,16,17)
InChIKeyJZWXDAKSPLAEDH-UHFFFAOYSA-N
MW320.19 g/mol
LogP2.49
Rot. Bonds2

About [4-bromo-1-methyl-5-(2-methyl-3H-benzimidazol-5-yl)imidazol-2-yl]methanamine

[4-bromo-1-methyl-5-(2-methyl-3H-benzimidazol-5-yl)imidazol-2-yl]methanamine (PubChem CID 84604081) has the molecular formula C13H14BrN5 and a molecular weight of 320.19 g/mol. Its IUPAC name is [4-bromo-1-methyl-5-(2-methyl-3H-benzimidazol-5-yl)imidazol-2-yl]methanamine.

Molecular Properties

Compound Name[4-bromo-1-methyl-5-(2-methyl-3H-benzimidazol-5-yl)imidazol-2-yl]methanamine
PubChem CID84604081
Molecular FormulaC13H14BrN5
Molecular Weight320.19 g/mol
Exact Mass319.04
IUPAC Name[4-bromo-1-methyl-5-(2-methyl-3H-benzimidazol-5-yl)imidazol-2-yl]methanamine
SMILESCc1nc2ccc(-c3c(Br)nc(CN)n3C)cc2[nH]1
InChIInChI=1S/C13H14BrN5/c1-7-16-9-4-3-8(5-10(9)17-7)12-13(14)18-11(6-15)19(12)2/h3-5H,6,15H2,1-2H3,(H,16,17)
InChIKeyJZWXDAKSPLAEDH-UHFFFAOYSA-N
XLogP2.49
TPSA72.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-bromo-1-methyl-5-[4-(2-methylpropyl)phenyl]imidazol-2-yl]methanamine
CID 84605016
[4-bromo-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylimidazol-2-yl]methanamine
CID 84611469
2-methyl-6-(4-phenylphenyl)-1H-benzimidazole
CID 175938016
2-methyl-6-(5-methyl-1H-pyrazol-3-yl)-1H-benzimidazole
CID 116856632
2-methyl-6-(2H-tetrazol-5-yl)-1H-benzimidazole
CID 861438
2-methyl-6-(2H-tetrazol-5-yl)-1H-benzimidazole
CID 158790051
2-methyl-6-naphthalen-1-yl-1H-benzimidazole
CID 46951477
1-methyl-2-(2-methyl-3H-benzimidazol-5-yl)hydrazine
CID 170206143
2-amino-1-[5-(2-methyl-3H-benzimidazol-5-yl)-1H-imidazol-2-yl]ethanol
CID 116881704
6-(2-bromoethyl)-2-methyl-1H-benzimidazole;ethane
CID 90818369
2-methyl-3H-benzimidazole-5-thiol
CID 43154899
[5-(2-methyl-3H-benzimidazol-5-yl)-1H-imidazol-2-yl]hydrazine
CID 116884165

Frequently Asked Questions

What is the IUPAC name of [4-bromo-1-methyl-5-(2-methyl-3H-benzimidazol-5-yl)imidazol-2-yl]methanamine?
The IUPAC name of [4-bromo-1-methyl-5-(2-methyl-3H-benzimidazol-5-yl)imidazol-2-yl]methanamine (CID 84604081) is [4-bromo-1-methyl-5-(2-methyl-3H-benzimidazol-5-yl)imidazol-2-yl]methanamine.
What is the SMILES notation for [4-bromo-1-methyl-5-(2-methyl-3H-benzimidazol-5-yl)imidazol-2-yl]methanamine?
The canonical SMILES for [4-bromo-1-methyl-5-(2-methyl-3H-benzimidazol-5-yl)imidazol-2-yl]methanamine is Cc1nc2ccc(-c3c(Br)nc(CN)n3C)cc2[nH]1.
What is the InChIKey of [4-bromo-1-methyl-5-(2-methyl-3H-benzimidazol-5-yl)imidazol-2-yl]methanamine?
The InChIKey is JZWXDAKSPLAEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN5/c1-7-16-9-4-3-8(5-10(9)17-7)12-13(14)18-11(6-15)19(12)2/h3-5H,6,15H2,1-2H3,(H,16,17).
What are the key properties of [4-bromo-1-methyl-5-(2-methyl-3H-benzimidazol-5-yl)imidazol-2-yl]methanamine?
[4-bromo-1-methyl-5-(2-methyl-3H-benzimidazol-5-yl)imidazol-2-yl]methanamine has a molecular weight of 320.19 g/mol, XLogP of 2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-1-methyl-5-(2-methyl-3H-benzimidazol-5-yl)imidazol-2-yl]methanamine is sourced from PubChem (CID 84604081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).