1-(benzimidazol-1-yl)-N-ethyl-3-pyridin-3-ylpropan-2-amine

C17H20N4 — CID 105180009

IUPAC1-(benzimidazol-1-yl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
SMILESCCNC(Cc1cccnc1)Cn1cnc2ccccc21
InChIInChI=1S/C17H20N4/c1-2-19-15(10-14-6-5-9-18-11-14)12-21-13-20-16-7-3-4-8-17(16)21/h3-9,11,13,15,19H,2,10,12H2,1H3
InChIKeyGYUVZVHBNMGJFQ-UHFFFAOYSA-N
MW280.38 g/mol
LogP2.65
Rot. Bonds6

About 1-(benzimidazol-1-yl)-N-ethyl-3-pyridin-3-ylpropan-2-amine

1-(benzimidazol-1-yl)-N-ethyl-3-pyridin-3-ylpropan-2-amine (PubChem CID 105180009) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is 1-(benzimidazol-1-yl)-N-ethyl-3-pyridin-3-ylpropan-2-amine.

Molecular Properties

Compound Name1-(benzimidazol-1-yl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
PubChem CID105180009
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC Name1-(benzimidazol-1-yl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
SMILESCCNC(Cc1cccnc1)Cn1cnc2ccccc21
InChIInChI=1S/C17H20N4/c1-2-19-15(10-14-6-5-9-18-11-14)12-21-13-20-16-7-3-4-8-17(16)21/h3-9,11,13,15,19H,2,10,12H2,1H3
InChIKeyGYUVZVHBNMGJFQ-UHFFFAOYSA-N
XLogP2.65
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(benzimidazol-1-yl)-N-ethyl-3-pyridin-3-ylpropan-2-amine 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

N-[2-(benzimidazol-1-yl)-1-pyridin-3-ylethyl]propan-1-amine
CID 105098601
1-(benzimidazol-1-yl)-N-ethylpent-4-yn-2-amine
CID 105077571
1-(benzimidazol-1-yl)-N-ethylpent-4-en-2-amine
CID 105108409
1-(2-chlorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 55086568
N-ethyl-1-(1-methylpyrazol-3-yl)-3-pyridin-3-ylpropan-2-amine
CID 82876645
1-(benzimidazol-1-yl)-N-ethyl-5-methoxy-5-methylhexan-2-amine
CID 103031480
1-(4-chlorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 62551023
N-ethyl-1-ethylsulfanyl-3-pyridin-3-ylpropan-2-amine
CID 104736340
N-ethyl-1-pyridin-3-ylpent-4-en-2-amine
CID 62551025
N-ethyl-1-(4-propan-2-ylphenyl)-3-pyridin-3-ylpropan-2-amine
CID 62602849
[1-(benzimidazol-1-yl)-3-(4-methylphenyl)propan-2-yl]hydrazine
CID 105284192
1-(3-bromophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 62551546

Frequently Asked Questions

What is the IUPAC name of 1-(benzimidazol-1-yl)-N-ethyl-3-pyridin-3-ylpropan-2-amine?
The IUPAC name of 1-(benzimidazol-1-yl)-N-ethyl-3-pyridin-3-ylpropan-2-amine (CID 105180009) is 1-(benzimidazol-1-yl)-N-ethyl-3-pyridin-3-ylpropan-2-amine.
What is the SMILES notation for 1-(benzimidazol-1-yl)-N-ethyl-3-pyridin-3-ylpropan-2-amine?
The canonical SMILES for 1-(benzimidazol-1-yl)-N-ethyl-3-pyridin-3-ylpropan-2-amine is CCNC(Cc1cccnc1)Cn1cnc2ccccc21.
What is the InChIKey of 1-(benzimidazol-1-yl)-N-ethyl-3-pyridin-3-ylpropan-2-amine?
The InChIKey is GYUVZVHBNMGJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-2-19-15(10-14-6-5-9-18-11-14)12-21-13-20-16-7-3-4-8-17(16)21/h3-9,11,13,15,19H,2,10,12H2,1H3.
What are the key properties of 1-(benzimidazol-1-yl)-N-ethyl-3-pyridin-3-ylpropan-2-amine?
1-(benzimidazol-1-yl)-N-ethyl-3-pyridin-3-ylpropan-2-amine has a molecular weight of 280.38 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzimidazol-1-yl)-N-ethyl-3-pyridin-3-ylpropan-2-amine is sourced from PubChem (CID 105180009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).