1-N-methylbenzimidazole-1,6-diamine

C8H10N4 — CID 141134926

IUPAC1-N-methylbenzimidazole-1,6-diamine
SMILESCNn1cnc2ccc(N)cc21
InChIInChI=1S/C8H10N4/c1-10-12-5-11-7-3-2-6(9)4-8(7)12/h2-5,10H,9H2,1H3
InChIKeyMDNBEPNCCBCWSM-UHFFFAOYSA-N
MW162.20 g/mol
LogP0.79
Rot. Bonds1

About 1-N-methylbenzimidazole-1,6-diamine

1-N-methylbenzimidazole-1,6-diamine (PubChem CID 141134926) has the molecular formula C8H10N4 and a molecular weight of 162.20 g/mol. Its IUPAC name is 1-N-methylbenzimidazole-1,6-diamine.

Molecular Properties

Compound Name1-N-methylbenzimidazole-1,6-diamine
PubChem CID141134926
Molecular FormulaC8H10N4
Molecular Weight162.20 g/mol
Exact Mass162.09
IUPAC Name1-N-methylbenzimidazole-1,6-diamine
SMILESCNn1cnc2ccc(N)cc21
InChIInChI=1S/C8H10N4/c1-10-12-5-11-7-3-2-6(9)4-8(7)12/h2-5,10H,9H2,1H3
InChIKeyMDNBEPNCCBCWSM-UHFFFAOYSA-N
XLogP0.79
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.20
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-N-methylbenzimidazole-1,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-trimethylsilylbenzimidazol-5-amine
CID 140845913
3-tert-butylbenzimidazol-5-amine
CID 134239532
3-propylbenzimidazol-5-amine
CID 18379870
3-(2-methylpropyl)benzimidazol-5-amine
CID 18379803
1-N-propan-2-ylbenzimidazole-1,5-diamine
CID 141134927
3-(6-chloropyrazin-2-yl)benzimidazol-5-amine
CID 58217094
1-(4-methylpiperazin-1-yl)benzimidazol-5-amine
CID 83024984
6-[amino-[3-(ethylamino)-6-hydroxybenzimidazol-5-yl]amino]-1-(methylamino)benzimidazol-5-ol
CID 69256280
3-[(3-methoxyphenyl)methyl]benzimidazol-5-amine
CID 18379860
1-ethylbenzimidazol-5-amine;dihydrochloride
CID 46735992
3-(benzimidazol-1-yl)-4-methylaniline
CID 82512834
3-[6-(diethylamino)pyrazin-2-yl]benzimidazol-5-amine
CID 58217158

Frequently Asked Questions

What is the IUPAC name of 1-N-methylbenzimidazole-1,6-diamine?
The IUPAC name of 1-N-methylbenzimidazole-1,6-diamine (CID 141134926) is 1-N-methylbenzimidazole-1,6-diamine.
What is the SMILES notation for 1-N-methylbenzimidazole-1,6-diamine?
The canonical SMILES for 1-N-methylbenzimidazole-1,6-diamine is CNn1cnc2ccc(N)cc21.
What is the InChIKey of 1-N-methylbenzimidazole-1,6-diamine?
The InChIKey is MDNBEPNCCBCWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4/c1-10-12-5-11-7-3-2-6(9)4-8(7)12/h2-5,10H,9H2,1H3.
What are the key properties of 1-N-methylbenzimidazole-1,6-diamine?
1-N-methylbenzimidazole-1,6-diamine has a molecular weight of 162.20 g/mol, XLogP of 0.79, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methylbenzimidazole-1,6-diamine is sourced from PubChem (CID 141134926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).