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

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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).