6-chloro-2-(1-methylindazol-3-yl)-1H-benzimidazol-4-amine

C15H12ClN5 — CID 136785800

IUPAC6-chloro-2-(1-methylindazol-3-yl)-1H-benzimidazol-4-amine
SMILESCn1nc(-c2nc3c(N)cc(Cl)cc3[nH]2)c2ccccc21
InChIInChI=1S/C15H12ClN5/c1-21-12-5-3-2-4-9(12)13(20-21)15-18-11-7-8(16)6-10(17)14(11)19-15/h2-7H,17H2,1H3,(H,18,19)
InChIKeyYBUUZJDUJKGFIW-UHFFFAOYSA-N
MW297.75 g/mol
LogP3.35
Rot. Bonds1

About 6-chloro-2-(1-methylindazol-3-yl)-1H-benzimidazol-4-amine

6-chloro-2-(1-methylindazol-3-yl)-1H-benzimidazol-4-amine (PubChem CID 136785800) has the molecular formula C15H12ClN5 and a molecular weight of 297.75 g/mol. Its IUPAC name is 6-chloro-2-(1-methylindazol-3-yl)-1H-benzimidazol-4-amine.

Molecular Properties

Compound Name6-chloro-2-(1-methylindazol-3-yl)-1H-benzimidazol-4-amine
PubChem CID136785800
Molecular FormulaC15H12ClN5
Molecular Weight297.75 g/mol
Exact Mass297.08
IUPAC Name6-chloro-2-(1-methylindazol-3-yl)-1H-benzimidazol-4-amine
SMILESCn1nc(-c2nc3c(N)cc(Cl)cc3[nH]2)c2ccccc21
InChIInChI=1S/C15H12ClN5/c1-21-12-5-3-2-4-9(12)13(20-21)15-18-11-7-8(16)6-10(17)14(11)19-15/h2-7H,17H2,1H3,(H,18,19)
InChIKeyYBUUZJDUJKGFIW-UHFFFAOYSA-N
XLogP3.35
TPSA72.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.75
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-6-(1-methylindazol-3-yl)-1H-1,3,5-triazin-2-one
CID 136980728
2-(1-methylindazol-3-yl)-3H-benzimidazol-5-ol
CID 136785862
2-(5-bromofuran-2-yl)-6-chloro-1H-benzimidazol-4-amine
CID 113371412
8-(1-methylindazol-3-yl)-7H-purin-6-amine
CID 136785887
2-methyl-5-(1-methylindazol-3-yl)-1H-1,2,4-triazole-3-thione
CID 103119827
2-(2-bromo-3-methylphenyl)-6-chloro-1H-benzimidazol-4-amine
CID 107982658
(4-amino-6-chloro-1H-benzimidazol-2-yl)methanol
CID 115647651
1,4-dimethyl-3-(1-methylindazol-3-yl)pyrazol-5-amine
CID 103118715
1-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)indazole
CID 103119734
2-(3,5-dichlorophenyl)-1H-benzimidazol-4-amine
CID 63694405
2-(3-chloro-5-methylphenyl)-1H-benzimidazol-4-amine
CID 81323414
4-bromo-6-chloro-2-phenyl-1H-benzimidazole
CID 53438662

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(1-methylindazol-3-yl)-1H-benzimidazol-4-amine?
The IUPAC name of 6-chloro-2-(1-methylindazol-3-yl)-1H-benzimidazol-4-amine (CID 136785800) is 6-chloro-2-(1-methylindazol-3-yl)-1H-benzimidazol-4-amine.
What is the SMILES notation for 6-chloro-2-(1-methylindazol-3-yl)-1H-benzimidazol-4-amine?
The canonical SMILES for 6-chloro-2-(1-methylindazol-3-yl)-1H-benzimidazol-4-amine is Cn1nc(-c2nc3c(N)cc(Cl)cc3[nH]2)c2ccccc21.
What is the InChIKey of 6-chloro-2-(1-methylindazol-3-yl)-1H-benzimidazol-4-amine?
The InChIKey is YBUUZJDUJKGFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN5/c1-21-12-5-3-2-4-9(12)13(20-21)15-18-11-7-8(16)6-10(17)14(11)19-15/h2-7H,17H2,1H3,(H,18,19).
What are the key properties of 6-chloro-2-(1-methylindazol-3-yl)-1H-benzimidazol-4-amine?
6-chloro-2-(1-methylindazol-3-yl)-1H-benzimidazol-4-amine has a molecular weight of 297.75 g/mol, XLogP of 3.35, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(1-methylindazol-3-yl)-1H-benzimidazol-4-amine is sourced from PubChem (CID 136785800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).