1-(oxan-4-yl)-2-propylbenzimidazol-5-amine

C15H21N3O — CID 62506385

IUPAC1-(oxan-4-yl)-2-propylbenzimidazol-5-amine
SMILESCCCc1nc2cc(N)ccc2n1C1CCOCC1
InChIInChI=1S/C15H21N3O/c1-2-3-15-17-13-10-11(16)4-5-14(13)18(15)12-6-8-19-9-7-12/h4-5,10,12H,2-3,6-9,16H2,1H3
InChIKeyVSKYYQYIQFGMKA-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.92
Rot. Bonds3

About 1-(oxan-4-yl)-2-propylbenzimidazol-5-amine

1-(oxan-4-yl)-2-propylbenzimidazol-5-amine (PubChem CID 62506385) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-(oxan-4-yl)-2-propylbenzimidazol-5-amine.

Molecular Properties

Compound Name1-(oxan-4-yl)-2-propylbenzimidazol-5-amine
PubChem CID62506385
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1-(oxan-4-yl)-2-propylbenzimidazol-5-amine
SMILESCCCc1nc2cc(N)ccc2n1C1CCOCC1
InChIInChI=1S/C15H21N3O/c1-2-3-15-17-13-10-11(16)4-5-14(13)18(15)12-6-8-19-9-7-12/h4-5,10,12H,2-3,6-9,16H2,1H3
InChIKeyVSKYYQYIQFGMKA-UHFFFAOYSA-N
XLogP2.92
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(oxan-4-yl)-2-propylbenzimidazol-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-(oxan-4-yl)-2-propylbenzimidazol-5-amine?
The IUPAC name of 1-(oxan-4-yl)-2-propylbenzimidazol-5-amine (CID 62506385) is 1-(oxan-4-yl)-2-propylbenzimidazol-5-amine.
What is the SMILES notation for 1-(oxan-4-yl)-2-propylbenzimidazol-5-amine?
The canonical SMILES for 1-(oxan-4-yl)-2-propylbenzimidazol-5-amine is CCCc1nc2cc(N)ccc2n1C1CCOCC1.
What is the InChIKey of 1-(oxan-4-yl)-2-propylbenzimidazol-5-amine?
The InChIKey is VSKYYQYIQFGMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-2-3-15-17-13-10-11(16)4-5-14(13)18(15)12-6-8-19-9-7-12/h4-5,10,12H,2-3,6-9,16H2,1H3.
What are the key properties of 1-(oxan-4-yl)-2-propylbenzimidazol-5-amine?
1-(oxan-4-yl)-2-propylbenzimidazol-5-amine has a molecular weight of 259.35 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)-2-propylbenzimidazol-5-amine is sourced from PubChem (CID 62506385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).