2-(4-methoxyphenyl)-1-methylbenzimidazol-5-amine

C15H15N3O — CID 1086603

IUPAC2-(4-methoxyphenyl)-1-methylbenzimidazol-5-amine
SMILESCOc1ccc(-c2nc3cc(N)ccc3n2C)cc1
InChIInChI=1S/C15H15N3O/c1-18-14-8-5-11(16)9-13(14)17-15(18)10-3-6-12(19-2)7-4-10/h3-9H,16H2,1-2H3
InChIKeyXCGLIWJYPORQCU-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.83
Rot. Bonds2

About 2-(4-methoxyphenyl)-1-methylbenzimidazol-5-amine

2-(4-methoxyphenyl)-1-methylbenzimidazol-5-amine (PubChem CID 1086603) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-methylbenzimidazol-5-amine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-methylbenzimidazol-5-amine
PubChem CID1086603
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name2-(4-methoxyphenyl)-1-methylbenzimidazol-5-amine
SMILESCOc1ccc(-c2nc3cc(N)ccc3n2C)cc1
InChIInChI=1S/C15H15N3O/c1-18-14-8-5-11(16)9-13(14)17-15(18)10-3-6-12(19-2)7-4-10/h3-9H,16H2,1-2H3
InChIKeyXCGLIWJYPORQCU-UHFFFAOYSA-N
XLogP2.83
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-methoxyphenyl)-1-methylbenzimidazol-5-amine?
The IUPAC name of 2-(4-methoxyphenyl)-1-methylbenzimidazol-5-amine (CID 1086603) is 2-(4-methoxyphenyl)-1-methylbenzimidazol-5-amine.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-methylbenzimidazol-5-amine?
The canonical SMILES for 2-(4-methoxyphenyl)-1-methylbenzimidazol-5-amine is COc1ccc(-c2nc3cc(N)ccc3n2C)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1-methylbenzimidazol-5-amine?
The InChIKey is XCGLIWJYPORQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-18-14-8-5-11(16)9-13(14)17-15(18)10-3-6-12(19-2)7-4-10/h3-9H,16H2,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-1-methylbenzimidazol-5-amine?
2-(4-methoxyphenyl)-1-methylbenzimidazol-5-amine has a molecular weight of 253.31 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1-methylbenzimidazol-5-amine is sourced from PubChem (CID 1086603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).