2-methyl-1-(3-phenylpropyl)benzimidazol-5-amine

C17H19N3 — CID 62506548

IUPAC2-methyl-1-(3-phenylpropyl)benzimidazol-5-amine
SMILESCc1nc2cc(N)ccc2n1CCCc1ccccc1
InChIInChI=1S/C17H19N3/c1-13-19-16-12-15(18)9-10-17(16)20(13)11-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-10,12H,5,8,11,18H2,1H3
InChIKeyWXMZHXARFBUVPW-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.56
Rot. Bonds4

About 2-methyl-1-(3-phenylpropyl)benzimidazol-5-amine

2-methyl-1-(3-phenylpropyl)benzimidazol-5-amine (PubChem CID 62506548) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-methyl-1-(3-phenylpropyl)benzimidazol-5-amine.

Molecular Properties

Compound Name2-methyl-1-(3-phenylpropyl)benzimidazol-5-amine
PubChem CID62506548
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name2-methyl-1-(3-phenylpropyl)benzimidazol-5-amine
SMILESCc1nc2cc(N)ccc2n1CCCc1ccccc1
InChIInChI=1S/C17H19N3/c1-13-19-16-12-15(18)9-10-17(16)20(13)11-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-10,12H,5,8,11,18H2,1H3
InChIKeyWXMZHXARFBUVPW-UHFFFAOYSA-N
XLogP3.56
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.56
H-Bond Donors ≤ 51
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-methyl-1-(3-phenylpropyl)benzimidazol-5-amine?
The IUPAC name of 2-methyl-1-(3-phenylpropyl)benzimidazol-5-amine (CID 62506548) is 2-methyl-1-(3-phenylpropyl)benzimidazol-5-amine.
What is the SMILES notation for 2-methyl-1-(3-phenylpropyl)benzimidazol-5-amine?
The canonical SMILES for 2-methyl-1-(3-phenylpropyl)benzimidazol-5-amine is Cc1nc2cc(N)ccc2n1CCCc1ccccc1.
What is the InChIKey of 2-methyl-1-(3-phenylpropyl)benzimidazol-5-amine?
The InChIKey is WXMZHXARFBUVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-13-19-16-12-15(18)9-10-17(16)20(13)11-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-10,12H,5,8,11,18H2,1H3.
What are the key properties of 2-methyl-1-(3-phenylpropyl)benzimidazol-5-amine?
2-methyl-1-(3-phenylpropyl)benzimidazol-5-amine has a molecular weight of 265.36 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-phenylpropyl)benzimidazol-5-amine is sourced from PubChem (CID 62506548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).