2-methylbenzimidazole-1,5-diamine

C8H10N4 — CID 83418174

IUPAC2-methylbenzimidazole-1,5-diamine
SMILESCc1nc2cc(N)ccc2n1N
InChIInChI=1S/C8H10N4/c1-5-11-7-4-6(9)2-3-8(7)12(5)10/h2-4H,9-10H2,1H3
InChIKeyRCDSNEMHDVERQK-UHFFFAOYSA-N
MW162.20 g/mol
LogP0.64
Rot. Bonds

About 2-methylbenzimidazole-1,5-diamine

2-methylbenzimidazole-1,5-diamine (PubChem CID 83418174) has the molecular formula C8H10N4 and a molecular weight of 162.20 g/mol. Its IUPAC name is 2-methylbenzimidazole-1,5-diamine.

Molecular Properties

Compound Name2-methylbenzimidazole-1,5-diamine
PubChem CID83418174
Molecular FormulaC8H10N4
Molecular Weight162.20 g/mol
Exact Mass162.09
IUPAC Name2-methylbenzimidazole-1,5-diamine
SMILESCc1nc2cc(N)ccc2n1N
InChIInChI=1S/C8H10N4/c1-5-11-7-4-6(9)2-3-8(7)12(5)10/h2-4H,9-10H2,1H3
InChIKeyRCDSNEMHDVERQK-UHFFFAOYSA-N
XLogP0.64
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.20
LogP ≤ 50.64
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

2-methyl-1-(4-methylpiperazin-1-yl)benzimidazol-5-amine
CID 83024985
2-(5-amino-2-methylbenzimidazol-1-yl)cyclohexan-1-ol
CID 62506404
1-[3-(dimethylamino)propyl]-2-methylbenzimidazol-5-amine;trihydrochloride
CID 51051984
1-(4-ethylcyclohexyl)-2-methylbenzimidazol-5-amine
CID 62506898
1-(4-bromo-2,6-dimethylphenyl)-2-methylbenzimidazol-5-amine
CID 65499671
1-(2-bromophenyl)-2-methylbenzimidazol-5-amine
CID 62507674
1-(1-cyclopropylethyl)-2-methylbenzimidazol-5-amine
CID 62507037
2-methyl-1-(2,2,3-trimethylbutyl)benzimidazol-5-amine
CID 114101961
6-(5-amino-2-methylbenzimidazol-1-yl)hexan-1-ol
CID 107849624
2-methyl-1-(2-propylcyclopropyl)benzimidazol-5-amine
CID 114112055
1-(3,3-dimethylcyclopentyl)-2-methylbenzimidazol-5-amine
CID 114541151
2-methyl-1-[(6-methyl-3-pyridinyl)methyl]benzimidazol-5-amine
CID 62992193

Frequently Asked Questions

What is the IUPAC name of 2-methylbenzimidazole-1,5-diamine?
The IUPAC name of 2-methylbenzimidazole-1,5-diamine (CID 83418174) is 2-methylbenzimidazole-1,5-diamine.
What is the SMILES notation for 2-methylbenzimidazole-1,5-diamine?
The canonical SMILES for 2-methylbenzimidazole-1,5-diamine is Cc1nc2cc(N)ccc2n1N.
What is the InChIKey of 2-methylbenzimidazole-1,5-diamine?
The InChIKey is RCDSNEMHDVERQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4/c1-5-11-7-4-6(9)2-3-8(7)12(5)10/h2-4H,9-10H2,1H3.
What are the key properties of 2-methylbenzimidazole-1,5-diamine?
2-methylbenzimidazole-1,5-diamine has a molecular weight of 162.20 g/mol, XLogP of 0.64, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbenzimidazole-1,5-diamine is sourced from PubChem (CID 83418174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).