2-(2-bromo-3-methylphenyl)-6-chloro-1H-benzimidazol-4-amine

C14H11BrClN3 — CID 107982658

IUPAC2-(2-bromo-3-methylphenyl)-6-chloro-1H-benzimidazol-4-amine
SMILESCc1cccc(-c2nc3c(N)cc(Cl)cc3[nH]2)c1Br
InChIInChI=1S/C14H11BrClN3/c1-7-3-2-4-9(12(7)15)14-18-11-6-8(16)5-10(17)13(11)19-14/h2-6H,17H2,1H3,(H,18,19)
InChIKeyABGCZLCCRZWDSH-UHFFFAOYSA-N
MW336.62 g/mol
LogP4.54
Rot. Bonds1

About 2-(2-bromo-3-methylphenyl)-6-chloro-1H-benzimidazol-4-amine

2-(2-bromo-3-methylphenyl)-6-chloro-1H-benzimidazol-4-amine (PubChem CID 107982658) has the molecular formula C14H11BrClN3 and a molecular weight of 336.62 g/mol. Its IUPAC name is 2-(2-bromo-3-methylphenyl)-6-chloro-1H-benzimidazol-4-amine.

Molecular Properties

Compound Name2-(2-bromo-3-methylphenyl)-6-chloro-1H-benzimidazol-4-amine
PubChem CID107982658
Molecular FormulaC14H11BrClN3
Molecular Weight336.62 g/mol
Exact Mass334.98
IUPAC Name2-(2-bromo-3-methylphenyl)-6-chloro-1H-benzimidazol-4-amine
SMILESCc1cccc(-c2nc3c(N)cc(Cl)cc3[nH]2)c1Br
InChIInChI=1S/C14H11BrClN3/c1-7-3-2-4-9(12(7)15)14-18-11-6-8(16)5-10(17)13(11)19-14/h2-6H,17H2,1H3,(H,18,19)
InChIKeyABGCZLCCRZWDSH-UHFFFAOYSA-N
XLogP4.54
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.62
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-bromo-3-methylphenyl)-1H-benzimidazol-4-amine
CID 107982657
2-(2-bromo-3-methylphenyl)-4-methyl-1H-benzimidazole
CID 107983005
2-(5-bromofuran-2-yl)-6-chloro-1H-benzimidazol-4-amine
CID 113371412
5-bromo-2-(2-bromo-3-methylphenyl)-6-fluoro-1H-benzimidazole
CID 107983011
6-bromo-2-(2-chlorophenyl)-4-methyl-1H-benzimidazole
CID 104574445
6-chloro-2-(1-methylindazol-3-yl)-1H-benzimidazol-4-amine
CID 136785800
4-[2-(2-bromo-3-methylphenyl)-4-(4-chlorophenyl)-1H-imidazol-5-yl]pyridine
CID 54276997
2-(3-chloro-5-methylphenyl)-1H-benzimidazol-4-amine
CID 81323414
2-(4-bromo-2-chlorophenyl)-1H-benzimidazol-4-amine
CID 63695445
2-(3,5-dichlorophenyl)-1H-benzimidazol-4-amine
CID 63694405
3-chloro-2-(4,6-dimethyl-1H-benzimidazol-2-yl)aniline
CID 82946597
4-methyl-2-(2-methylphenyl)-1H-benzimidazole
CID 59018429

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-3-methylphenyl)-6-chloro-1H-benzimidazol-4-amine?
The IUPAC name of 2-(2-bromo-3-methylphenyl)-6-chloro-1H-benzimidazol-4-amine (CID 107982658) is 2-(2-bromo-3-methylphenyl)-6-chloro-1H-benzimidazol-4-amine.
What is the SMILES notation for 2-(2-bromo-3-methylphenyl)-6-chloro-1H-benzimidazol-4-amine?
The canonical SMILES for 2-(2-bromo-3-methylphenyl)-6-chloro-1H-benzimidazol-4-amine is Cc1cccc(-c2nc3c(N)cc(Cl)cc3[nH]2)c1Br.
What is the InChIKey of 2-(2-bromo-3-methylphenyl)-6-chloro-1H-benzimidazol-4-amine?
The InChIKey is ABGCZLCCRZWDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClN3/c1-7-3-2-4-9(12(7)15)14-18-11-6-8(16)5-10(17)13(11)19-14/h2-6H,17H2,1H3,(H,18,19).
What are the key properties of 2-(2-bromo-3-methylphenyl)-6-chloro-1H-benzimidazol-4-amine?
2-(2-bromo-3-methylphenyl)-6-chloro-1H-benzimidazol-4-amine has a molecular weight of 336.62 g/mol, XLogP of 4.54, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-3-methylphenyl)-6-chloro-1H-benzimidazol-4-amine is sourced from PubChem (CID 107982658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).