2-(4-aminophenyl)-4-methyl-1H-benzimidazol-5-amine

C14H14N4 — CID 1160249

IUPAC2-(4-aminophenyl)-4-methyl-1H-benzimidazol-5-amine
SMILESCc1c(N)ccc2[nH]c(-c3ccc(N)cc3)nc12
InChIInChI=1S/C14H14N4/c1-8-11(16)6-7-12-13(8)18-14(17-12)9-2-4-10(15)5-3-9/h2-7H,15-16H2,1H3,(H,17,18)
InChIKeyBEXBJUKRZILANI-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.70
Rot. Bonds1

About 2-(4-aminophenyl)-4-methyl-1H-benzimidazol-5-amine

2-(4-aminophenyl)-4-methyl-1H-benzimidazol-5-amine (PubChem CID 1160249) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-(4-aminophenyl)-4-methyl-1H-benzimidazol-5-amine.

Molecular Properties

Compound Name2-(4-aminophenyl)-4-methyl-1H-benzimidazol-5-amine
PubChem CID1160249
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name2-(4-aminophenyl)-4-methyl-1H-benzimidazol-5-amine
SMILESCc1c(N)ccc2[nH]c(-c3ccc(N)cc3)nc12
InChIInChI=1S/C14H14N4/c1-8-11(16)6-7-12-13(8)18-14(17-12)9-2-4-10(15)5-3-9/h2-7H,15-16H2,1H3,(H,17,18)
InChIKeyBEXBJUKRZILANI-UHFFFAOYSA-N
XLogP2.70
TPSA80.72 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.70
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-(4-aminophenyl)-4-methyl-1H-benzimidazol-5-amine?
The IUPAC name of 2-(4-aminophenyl)-4-methyl-1H-benzimidazol-5-amine (CID 1160249) is 2-(4-aminophenyl)-4-methyl-1H-benzimidazol-5-amine.
What is the SMILES notation for 2-(4-aminophenyl)-4-methyl-1H-benzimidazol-5-amine?
The canonical SMILES for 2-(4-aminophenyl)-4-methyl-1H-benzimidazol-5-amine is Cc1c(N)ccc2[nH]c(-c3ccc(N)cc3)nc12.
What is the InChIKey of 2-(4-aminophenyl)-4-methyl-1H-benzimidazol-5-amine?
The InChIKey is BEXBJUKRZILANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-8-11(16)6-7-12-13(8)18-14(17-12)9-2-4-10(15)5-3-9/h2-7H,15-16H2,1H3,(H,17,18).
What are the key properties of 2-(4-aminophenyl)-4-methyl-1H-benzimidazol-5-amine?
2-(4-aminophenyl)-4-methyl-1H-benzimidazol-5-amine has a molecular weight of 238.29 g/mol, XLogP of 2.70, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-4-methyl-1H-benzimidazol-5-amine is sourced from PubChem (CID 1160249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).