N-[2-(benzimidazol-1-yl)-1-pyridin-3-ylethyl]propan-1-amine

C17H20N4 — CID 105098601

IUPACN-[2-(benzimidazol-1-yl)-1-pyridin-3-ylethyl]propan-1-amine
SMILESCCCNC(Cn1cnc2ccccc21)c1cccnc1
InChIInChI=1S/C17H20N4/c1-2-9-19-16(14-6-5-10-18-11-14)12-21-13-20-15-7-3-4-8-17(15)21/h3-8,10-11,13,16,19H,2,9,12H2,1H3
InChIKeyZLORVQZPGRJXMZ-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.17
Rot. Bonds6

About N-[2-(benzimidazol-1-yl)-1-pyridin-3-ylethyl]propan-1-amine

N-[2-(benzimidazol-1-yl)-1-pyridin-3-ylethyl]propan-1-amine (PubChem CID 105098601) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is N-[2-(benzimidazol-1-yl)-1-pyridin-3-ylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(benzimidazol-1-yl)-1-pyridin-3-ylethyl]propan-1-amine
PubChem CID105098601
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC NameN-[2-(benzimidazol-1-yl)-1-pyridin-3-ylethyl]propan-1-amine
SMILESCCCNC(Cn1cnc2ccccc21)c1cccnc1
InChIInChI=1S/C17H20N4/c1-2-9-19-16(14-6-5-10-18-11-14)12-21-13-20-15-7-3-4-8-17(15)21/h3-8,10-11,13,16,19H,2,9,12H2,1H3
InChIKeyZLORVQZPGRJXMZ-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(benzimidazol-1-yl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 105180009
2-(benzimidazol-1-yl)-N-methyl-1-pyrimidin-5-ylethanamine
CID 105118530
1-(benzimidazol-1-yl)-5-methyl-N-propylhexan-2-amine
CID 105127217
2-(benzimidazol-1-yl)-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine
CID 105146117
1-(benzimidazol-1-yl)-3-cyclopropyl-N-propylpropan-2-amine
CID 105152945
methyl 3-(propylamino)-3-pyridin-3-ylpropanoate
CID 65235647
1-(benzimidazol-1-yl)-N-propylhept-6-yn-2-amine
CID 105179707
1-(benzimidazol-1-yl)-N-propyl-3-thiophen-2-ylpropan-2-amine
CID 105134365
ethyl 3-(propylamino)-3-pyridin-3-ylpropanoate
CID 65235826
2-(benzimidazol-1-yl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine
CID 107130065
N-(2-butan-2-ylsulfanyl-1-pyridin-3-ylethyl)propan-1-amine
CID 65141692
N-[2-(5-bromo-2-pyridinyl)-1-pyridin-3-ylethyl]propan-1-amine
CID 104801238

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzimidazol-1-yl)-1-pyridin-3-ylethyl]propan-1-amine?
The IUPAC name of N-[2-(benzimidazol-1-yl)-1-pyridin-3-ylethyl]propan-1-amine (CID 105098601) is N-[2-(benzimidazol-1-yl)-1-pyridin-3-ylethyl]propan-1-amine.
What is the SMILES notation for N-[2-(benzimidazol-1-yl)-1-pyridin-3-ylethyl]propan-1-amine?
The canonical SMILES for N-[2-(benzimidazol-1-yl)-1-pyridin-3-ylethyl]propan-1-amine is CCCNC(Cn1cnc2ccccc21)c1cccnc1.
What is the InChIKey of N-[2-(benzimidazol-1-yl)-1-pyridin-3-ylethyl]propan-1-amine?
The InChIKey is ZLORVQZPGRJXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-2-9-19-16(14-6-5-10-18-11-14)12-21-13-20-15-7-3-4-8-17(15)21/h3-8,10-11,13,16,19H,2,9,12H2,1H3.
What are the key properties of N-[2-(benzimidazol-1-yl)-1-pyridin-3-ylethyl]propan-1-amine?
N-[2-(benzimidazol-1-yl)-1-pyridin-3-ylethyl]propan-1-amine has a molecular weight of 280.38 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzimidazol-1-yl)-1-pyridin-3-ylethyl]propan-1-amine is sourced from PubChem (CID 105098601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).