1-benzyl-2-propan-2-ylbenzimidazol-5-amine

C17H19N3 — CID 43830828

IUPAC1-benzyl-2-propan-2-ylbenzimidazol-5-amine
SMILESCC(C)c1nc2cc(N)ccc2n1Cc1ccccc1
InChIInChI=1S/C17H19N3/c1-12(2)17-19-15-10-14(18)8-9-16(15)20(17)11-13-6-4-3-5-7-13/h3-10,12H,11,18H2,1-2H3
InChIKeyPAACXMLYKFBIOH-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.79
Rot. Bonds3

About 1-benzyl-2-propan-2-ylbenzimidazol-5-amine

1-benzyl-2-propan-2-ylbenzimidazol-5-amine (PubChem CID 43830828) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-benzyl-2-propan-2-ylbenzimidazol-5-amine.

Molecular Properties

Compound Name1-benzyl-2-propan-2-ylbenzimidazol-5-amine
PubChem CID43830828
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name1-benzyl-2-propan-2-ylbenzimidazol-5-amine
SMILESCC(C)c1nc2cc(N)ccc2n1Cc1ccccc1
InChIInChI=1S/C17H19N3/c1-12(2)17-19-15-10-14(18)8-9-16(15)20(17)11-13-6-4-3-5-7-13/h3-10,12H,11,18H2,1-2H3
InChIKeyPAACXMLYKFBIOH-UHFFFAOYSA-N
XLogP3.79
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-benzyl-2-propan-2-ylbenzimidazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-propan-2-ylbenzimidazol-5-amine?
The IUPAC name of 1-benzyl-2-propan-2-ylbenzimidazol-5-amine (CID 43830828) is 1-benzyl-2-propan-2-ylbenzimidazol-5-amine.
What is the SMILES notation for 1-benzyl-2-propan-2-ylbenzimidazol-5-amine?
The canonical SMILES for 1-benzyl-2-propan-2-ylbenzimidazol-5-amine is CC(C)c1nc2cc(N)ccc2n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-propan-2-ylbenzimidazol-5-amine?
The InChIKey is PAACXMLYKFBIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-12(2)17-19-15-10-14(18)8-9-16(15)20(17)11-13-6-4-3-5-7-13/h3-10,12H,11,18H2,1-2H3.
What are the key properties of 1-benzyl-2-propan-2-ylbenzimidazol-5-amine?
1-benzyl-2-propan-2-ylbenzimidazol-5-amine has a molecular weight of 265.36 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-propan-2-ylbenzimidazol-5-amine is sourced from PubChem (CID 43830828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).