1-(benzimidazol-1-yl)-3-(5-ethyl-2-pyridinyl)propan-2-amine

C17H20N4 — CID 105168831

IUPAC1-(benzimidazol-1-yl)-3-(5-ethyl-2-pyridinyl)propan-2-amine
SMILESCCc1ccc(CC(N)Cn2cnc3ccccc32)nc1
InChIInChI=1S/C17H20N4/c1-2-13-7-8-15(19-10-13)9-14(18)11-21-12-20-16-5-3-4-6-17(16)21/h3-8,10,12,14H,2,9,11,18H2,1H3
InChIKeyHHDPQZPWHLJKLH-UHFFFAOYSA-N
MW280.38 g/mol
LogP2.56
Rot. Bonds5

About 1-(benzimidazol-1-yl)-3-(5-ethyl-2-pyridinyl)propan-2-amine

1-(benzimidazol-1-yl)-3-(5-ethyl-2-pyridinyl)propan-2-amine (PubChem CID 105168831) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is 1-(benzimidazol-1-yl)-3-(5-ethyl-2-pyridinyl)propan-2-amine.

Molecular Properties

Compound Name1-(benzimidazol-1-yl)-3-(5-ethyl-2-pyridinyl)propan-2-amine
PubChem CID105168831
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC Name1-(benzimidazol-1-yl)-3-(5-ethyl-2-pyridinyl)propan-2-amine
SMILESCCc1ccc(CC(N)Cn2cnc3ccccc32)nc1
InChIInChI=1S/C17H20N4/c1-2-13-7-8-15(19-10-13)9-14(18)11-21-12-20-16-5-3-4-6-17(16)21/h3-8,10,12,14H,2,9,11,18H2,1H3
InChIKeyHHDPQZPWHLJKLH-UHFFFAOYSA-N
XLogP2.56
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(benzimidazol-1-yl)-3-(5-ethyl-2-pyridinyl)propan-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

1-(5-ethyl-2-pyridinyl)-3-phenylpropan-2-amine
CID 79748258
1-(benzimidazol-1-yl)hexan-2-amine
CID 105125140
1-(benzimidazol-1-yl)-4-ethylhexan-2-amine
CID 105176644
1-(benzimidazol-1-yl)-3-(2-methoxyphenyl)propan-2-amine
CID 105107290
1-(benzimidazol-1-yl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine
CID 105159359
1-(benzimidazol-1-yl)-3-(2,5-dimethylpyrazol-3-yl)propan-2-amine
CID 105158489
2-(benzimidazol-1-yl)-1-(3-ethylphenyl)ethanol
CID 105117176
1-(benzimidazol-1-yl)pent-4-en-2-amine
CID 105107781
1-(benzimidazol-1-yl)hept-5-yn-2-amine
CID 105181339
1-(benzimidazol-1-yl)-4-(1-methylpyrazol-4-yl)butan-2-amine
CID 103029759
3-(5-ethyl-2-pyridinyl)-2-methylpropan-1-amine
CID 81020364
[1-(benzimidazol-1-yl)-3-ethylpentan-2-yl]hydrazine
CID 105323983

Frequently Asked Questions

What is the IUPAC name of 1-(benzimidazol-1-yl)-3-(5-ethyl-2-pyridinyl)propan-2-amine?
The IUPAC name of 1-(benzimidazol-1-yl)-3-(5-ethyl-2-pyridinyl)propan-2-amine (CID 105168831) is 1-(benzimidazol-1-yl)-3-(5-ethyl-2-pyridinyl)propan-2-amine.
What is the SMILES notation for 1-(benzimidazol-1-yl)-3-(5-ethyl-2-pyridinyl)propan-2-amine?
The canonical SMILES for 1-(benzimidazol-1-yl)-3-(5-ethyl-2-pyridinyl)propan-2-amine is CCc1ccc(CC(N)Cn2cnc3ccccc32)nc1.
What is the InChIKey of 1-(benzimidazol-1-yl)-3-(5-ethyl-2-pyridinyl)propan-2-amine?
The InChIKey is HHDPQZPWHLJKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-2-13-7-8-15(19-10-13)9-14(18)11-21-12-20-16-5-3-4-6-17(16)21/h3-8,10,12,14H,2,9,11,18H2,1H3.
What are the key properties of 1-(benzimidazol-1-yl)-3-(5-ethyl-2-pyridinyl)propan-2-amine?
1-(benzimidazol-1-yl)-3-(5-ethyl-2-pyridinyl)propan-2-amine has a molecular weight of 280.38 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzimidazol-1-yl)-3-(5-ethyl-2-pyridinyl)propan-2-amine is sourced from PubChem (CID 105168831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).