2-(1H-benzimidazol-2-yl)-3-pyridin-3-ylpropan-1-amine

C15H16N4 — CID 83976034

IUPAC2-(1H-benzimidazol-2-yl)-3-pyridin-3-ylpropan-1-amine
SMILESNCC(Cc1cccnc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C15H16N4/c16-9-12(8-11-4-3-7-17-10-11)15-18-13-5-1-2-6-14(13)19-15/h1-7,10,12H,8-9,16H2,(H,18,19)
InChIKeyFWCFFYUQOWPSOT-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.24
Rot. Bonds4

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

2-(1H-benzimidazol-2-yl)-3-pyridin-3-ylpropan-1-amine (PubChem CID 83976034) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)-3-pyridin-3-ylpropan-1-amine.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-yl)-3-pyridin-3-ylpropan-1-amine
PubChem CID83976034
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name2-(1H-benzimidazol-2-yl)-3-pyridin-3-ylpropan-1-amine
SMILESNCC(Cc1cccnc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C15H16N4/c16-9-12(8-11-4-3-7-17-10-11)15-18-13-5-1-2-6-14(13)19-15/h1-7,10,12H,8-9,16H2,(H,18,19)
InChIKeyFWCFFYUQOWPSOT-UHFFFAOYSA-N
XLogP2.24
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)propan-1-amine
CID 83976079
2-(1,3-diphenylpropan-2-yl)-1H-benzimidazole
CID 139651881
2-(1H-benzimidazol-2-yl)-3-(3-chloro-4-propan-2-yloxyphenyl)propan-1-amine
CID 83976052
2-(1H-benzimidazol-2-yl)-3-(3-chloro-4,5-dimethoxyphenyl)propan-1-amine
CID 112539106
N-methyl-N-(pyridin-3-ylmethyl)-1H-benzimidazol-2-amine
CID 115143872
2-(1-ethylbenzimidazol-2-yl)-3-pyridin-3-ylpropan-1-amine
CID 83976202
2-(pyridin-3-ylmethylsulfanyl)-1H-benzimidazole
CID 3012526
2-[1-(1H-benzimidazol-2-yl)-3-(4-methylphenyl)propan-2-yl]-1H-benzimidazole
CID 3095741
N-[1-(1H-benzimidazol-2-yl)ethyl]-1-pyridin-3-ylethanamine
CID 62674077
2-(1H-benzimidazol-2-ylsulfanyl)-N-(pyridin-3-ylmethyl)ethanamine
CID 62583732
2-(3,4-dimethylphenyl)-3-pyridin-3-ylpropan-1-amine
CID 83972735
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-(pyridin-3-ylmethyl)pyrrole-2-carboxamide
CID 97213270

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)-3-pyridin-3-ylpropan-1-amine?
The IUPAC name of 2-(1H-benzimidazol-2-yl)-3-pyridin-3-ylpropan-1-amine (CID 83976034) is 2-(1H-benzimidazol-2-yl)-3-pyridin-3-ylpropan-1-amine.
What is the SMILES notation for 2-(1H-benzimidazol-2-yl)-3-pyridin-3-ylpropan-1-amine?
The canonical SMILES for 2-(1H-benzimidazol-2-yl)-3-pyridin-3-ylpropan-1-amine is NCC(Cc1cccnc1)c1nc2ccccc2[nH]1.
What is the InChIKey of 2-(1H-benzimidazol-2-yl)-3-pyridin-3-ylpropan-1-amine?
The InChIKey is FWCFFYUQOWPSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c16-9-12(8-11-4-3-7-17-10-11)15-18-13-5-1-2-6-14(13)19-15/h1-7,10,12H,8-9,16H2,(H,18,19).
What are the key properties of 2-(1H-benzimidazol-2-yl)-3-pyridin-3-ylpropan-1-amine?
2-(1H-benzimidazol-2-yl)-3-pyridin-3-ylpropan-1-amine has a molecular weight of 252.32 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-yl)-3-pyridin-3-ylpropan-1-amine is sourced from PubChem (CID 83976034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).