2-N-(1H-benzimidazol-2-yl)benzene-1,2-diamine

C13H12N4 — CID 672245

IUPAC2-N-(1H-benzimidazol-2-yl)benzene-1,2-diamine
SMILESNc1ccccc1Nc1nc2ccccc2[nH]1
InChIInChI=1S/C13H12N4/c14-9-5-1-2-6-10(9)15-13-16-11-7-3-4-8-12(11)17-13/h1-8H,14H2,(H2,15,16,17)
InChIKeyZZDGNBWCSPZNRU-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.89
Rot. Bonds2

About 2-N-(1H-benzimidazol-2-yl)benzene-1,2-diamine

2-N-(1H-benzimidazol-2-yl)benzene-1,2-diamine (PubChem CID 672245) has the molecular formula C13H12N4 and a molecular weight of 224.27 g/mol. Its IUPAC name is 2-N-(1H-benzimidazol-2-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(1H-benzimidazol-2-yl)benzene-1,2-diamine
PubChem CID672245
Molecular FormulaC13H12N4
Molecular Weight224.27 g/mol
Exact Mass224.11
IUPAC Name2-N-(1H-benzimidazol-2-yl)benzene-1,2-diamine
SMILESNc1ccccc1Nc1nc2ccccc2[nH]1
InChIInChI=1S/C13H12N4/c14-9-5-1-2-6-10(9)15-13-16-11-7-3-4-8-12(11)17-13/h1-8H,14H2,(H2,15,16,17)
InChIKeyZZDGNBWCSPZNRU-UHFFFAOYSA-N
XLogP2.89
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N-(1H-benzimidazol-2-yl)benzene-1,2-diamine?
The IUPAC name of 2-N-(1H-benzimidazol-2-yl)benzene-1,2-diamine (CID 672245) is 2-N-(1H-benzimidazol-2-yl)benzene-1,2-diamine.
What is the SMILES notation for 2-N-(1H-benzimidazol-2-yl)benzene-1,2-diamine?
The canonical SMILES for 2-N-(1H-benzimidazol-2-yl)benzene-1,2-diamine is Nc1ccccc1Nc1nc2ccccc2[nH]1.
What is the InChIKey of 2-N-(1H-benzimidazol-2-yl)benzene-1,2-diamine?
The InChIKey is ZZDGNBWCSPZNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4/c14-9-5-1-2-6-10(9)15-13-16-11-7-3-4-8-12(11)17-13/h1-8H,14H2,(H2,15,16,17).
What are the key properties of 2-N-(1H-benzimidazol-2-yl)benzene-1,2-diamine?
2-N-(1H-benzimidazol-2-yl)benzene-1,2-diamine has a molecular weight of 224.27 g/mol, XLogP of 2.89, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1H-benzimidazol-2-yl)benzene-1,2-diamine is sourced from PubChem (CID 672245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).