4-bromo-5-methyl-1H-benzimidazol-2-amine

C8H8BrN3 — CID 130051699

IUPAC4-bromo-5-methyl-1H-benzimidazol-2-amine
SMILESCc1ccc2[nH]c(N)nc2c1Br
InChIInChI=1S/C8H8BrN3/c1-4-2-3-5-7(6(4)9)12-8(10)11-5/h2-3H,1H3,(H3,10,11,12)
InChIKeyIFLJPDQBUUGTBJ-UHFFFAOYSA-N
MW226.08 g/mol
LogP2.22
Rot. Bonds

About 4-bromo-5-methyl-1H-benzimidazol-2-amine

4-bromo-5-methyl-1H-benzimidazol-2-amine (PubChem CID 130051699) has the molecular formula C8H8BrN3 and a molecular weight of 226.08 g/mol. Its IUPAC name is 4-bromo-5-methyl-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name4-bromo-5-methyl-1H-benzimidazol-2-amine
PubChem CID130051699
Molecular FormulaC8H8BrN3
Molecular Weight226.08 g/mol
Exact Mass224.99
IUPAC Name4-bromo-5-methyl-1H-benzimidazol-2-amine
SMILESCc1ccc2[nH]c(N)nc2c1Br
InChIInChI=1S/C8H8BrN3/c1-4-2-3-5-7(6(4)9)12-8(10)11-5/h2-3H,1H3,(H3,10,11,12)
InChIKeyIFLJPDQBUUGTBJ-UHFFFAOYSA-N
XLogP2.22
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.08
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-methyl-1H-benzimidazol-2-amine?
The IUPAC name of 4-bromo-5-methyl-1H-benzimidazol-2-amine (CID 130051699) is 4-bromo-5-methyl-1H-benzimidazol-2-amine.
What is the SMILES notation for 4-bromo-5-methyl-1H-benzimidazol-2-amine?
The canonical SMILES for 4-bromo-5-methyl-1H-benzimidazol-2-amine is Cc1ccc2[nH]c(N)nc2c1Br.
What is the InChIKey of 4-bromo-5-methyl-1H-benzimidazol-2-amine?
The InChIKey is IFLJPDQBUUGTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN3/c1-4-2-3-5-7(6(4)9)12-8(10)11-5/h2-3H,1H3,(H3,10,11,12).
What are the key properties of 4-bromo-5-methyl-1H-benzimidazol-2-amine?
4-bromo-5-methyl-1H-benzimidazol-2-amine has a molecular weight of 226.08 g/mol, XLogP of 2.22, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-methyl-1H-benzimidazol-2-amine is sourced from PubChem (CID 130051699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).