1-(oxan-4-yl)-2-(1-propylbenzimidazol-2-yl)ethanamine

C17H25N3O — CID 79757035

IUPAC1-(oxan-4-yl)-2-(1-propylbenzimidazol-2-yl)ethanamine
SMILESCCCn1c(CC(N)C2CCOCC2)nc2ccccc21
InChIInChI=1S/C17H25N3O/c1-2-9-20-16-6-4-3-5-15(16)19-17(20)12-14(18)13-7-10-21-11-8-13/h3-6,13-14H,2,7-12,18H2,1H3
InChIKeyPZYBCQQRCFOEPD-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.74
Rot. Bonds5

About 1-(oxan-4-yl)-2-(1-propylbenzimidazol-2-yl)ethanamine

1-(oxan-4-yl)-2-(1-propylbenzimidazol-2-yl)ethanamine (PubChem CID 79757035) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 1-(oxan-4-yl)-2-(1-propylbenzimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(oxan-4-yl)-2-(1-propylbenzimidazol-2-yl)ethanamine
PubChem CID79757035
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name1-(oxan-4-yl)-2-(1-propylbenzimidazol-2-yl)ethanamine
SMILESCCCn1c(CC(N)C2CCOCC2)nc2ccccc21
InChIInChI=1S/C17H25N3O/c1-2-9-20-16-6-4-3-5-15(16)19-17(20)12-14(18)13-7-10-21-11-8-13/h3-6,13-14H,2,7-12,18H2,1H3
InChIKeyPZYBCQQRCFOEPD-UHFFFAOYSA-N
XLogP2.74
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(oxan-4-yl)-2-(1-propylbenzimidazol-2-yl)ethanamine with MolForge

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

Launch Full Analysis

Related Compounds

1-cyclopropyl-2-(1-propylbenzimidazol-2-yl)ethanamine
CID 79754023
1-(3-methylcyclopentyl)-2-(1-propylbenzimidazol-2-yl)ethanamine
CID 79757049
N-methyl-1-(oxolan-3-yl)-2-(1-propylbenzimidazol-2-yl)ethanamine
CID 79757032
2-(1-ethylbenzimidazol-2-yl)-1-(oxan-4-yl)ethanol
CID 79753249
1-cyclobutyl-2-(1-methylbenzimidazol-2-yl)ethanamine
CID 79750402
3,3-dimethyl-1-(1-propylbenzimidazol-2-yl)butan-2-amine
CID 79754185
1-cyclobutyl-3-(1-propylbenzimidazol-2-yl)propan-2-ol
CID 103170121
2-(1-propylbenzimidazol-2-yl)-1-pyrimidin-2-ylethanamine
CID 79756292
2-(1-methylbenzimidazol-2-yl)-1-(oxan-4-yl)ethanol
CID 79753334
1-(3-bicyclo[3.1.0]hexanyl)-2-(1-propylbenzimidazol-2-yl)ethanol
CID 115818146
1-(6-bicyclo[3.1.0]hexanyl)-2-(1-propylbenzimidazol-2-yl)ethanol
CID 115818131
[1,1,1-trifluoro-3-(1-propylbenzimidazol-2-yl)propan-2-yl]hydrazine
CID 105215870

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)-2-(1-propylbenzimidazol-2-yl)ethanamine?
The IUPAC name of 1-(oxan-4-yl)-2-(1-propylbenzimidazol-2-yl)ethanamine (CID 79757035) is 1-(oxan-4-yl)-2-(1-propylbenzimidazol-2-yl)ethanamine.
What is the SMILES notation for 1-(oxan-4-yl)-2-(1-propylbenzimidazol-2-yl)ethanamine?
The canonical SMILES for 1-(oxan-4-yl)-2-(1-propylbenzimidazol-2-yl)ethanamine is CCCn1c(CC(N)C2CCOCC2)nc2ccccc21.
What is the InChIKey of 1-(oxan-4-yl)-2-(1-propylbenzimidazol-2-yl)ethanamine?
The InChIKey is PZYBCQQRCFOEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-2-9-20-16-6-4-3-5-15(16)19-17(20)12-14(18)13-7-10-21-11-8-13/h3-6,13-14H,2,7-12,18H2,1H3.
What are the key properties of 1-(oxan-4-yl)-2-(1-propylbenzimidazol-2-yl)ethanamine?
1-(oxan-4-yl)-2-(1-propylbenzimidazol-2-yl)ethanamine has a molecular weight of 287.41 g/mol, XLogP of 2.74, 5 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-(1-propylbenzimidazol-2-yl)ethanamine is sourced from PubChem (CID 79757035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).