1H-benzimidazole;4-methylbenzene-1,2-diamine

C14H16N4 — CID 174882419

IUPAC1H-benzimidazole;4-methylbenzene-1,2-diamine
SMILESCc1ccc(N)c(N)c1.c1ccc2[nH]cnc2c1
InChIInChI=1S/C7H6N2.C7H10N2/c1-2-4-7-6(3-1)8-5-9-7;1-5-2-3-6(8)7(9)4-5/h1-5H,(H,8,9);2-4H,8-9H2,1H3
InChIKeyQQYMIHZBOQXZLH-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.72
Rot. Bonds

About 1H-benzimidazole;4-methylbenzene-1,2-diamine

1H-benzimidazole;4-methylbenzene-1,2-diamine (PubChem CID 174882419) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 1H-benzimidazole;4-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name1H-benzimidazole;4-methylbenzene-1,2-diamine
PubChem CID174882419
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name1H-benzimidazole;4-methylbenzene-1,2-diamine
SMILESCc1ccc(N)c(N)c1.c1ccc2[nH]cnc2c1
InChIInChI=1S/C7H6N2.C7H10N2/c1-2-4-7-6(3-1)8-5-9-7;1-5-2-3-6(8)7(9)4-5/h1-5H,(H,8,9);2-4H,8-9H2,1H3
InChIKeyQQYMIHZBOQXZLH-UHFFFAOYSA-N
XLogP2.72
TPSA80.72 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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1H-benzimidazole;manganese
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CID 158008377
CID 158008377
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CID 143659644
calcium;1H-benzimidazole;hydride
CID 174891856
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Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazole;4-methylbenzene-1,2-diamine?
The IUPAC name of 1H-benzimidazole;4-methylbenzene-1,2-diamine (CID 174882419) is 1H-benzimidazole;4-methylbenzene-1,2-diamine.
What is the SMILES notation for 1H-benzimidazole;4-methylbenzene-1,2-diamine?
The canonical SMILES for 1H-benzimidazole;4-methylbenzene-1,2-diamine is Cc1ccc(N)c(N)c1.c1ccc2[nH]cnc2c1.
What is the InChIKey of 1H-benzimidazole;4-methylbenzene-1,2-diamine?
The InChIKey is QQYMIHZBOQXZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2.C7H10N2/c1-2-4-7-6(3-1)8-5-9-7;1-5-2-3-6(8)7(9)4-5/h1-5H,(H,8,9);2-4H,8-9H2,1H3.
What are the key properties of 1H-benzimidazole;4-methylbenzene-1,2-diamine?
1H-benzimidazole;4-methylbenzene-1,2-diamine has a molecular weight of 240.31 g/mol, XLogP of 2.72, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazole;4-methylbenzene-1,2-diamine is sourced from PubChem (CID 174882419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).