2-(2-pyridin-3-yl-3H-benzimidazol-5-yl)ethanamine

C14H14N4 — CID 82292187

IUPAC2-(2-pyridin-3-yl-3H-benzimidazol-5-yl)ethanamine
SMILESNCCc1ccc2nc(-c3cccnc3)[nH]c2c1
InChIInChI=1S/C14H14N4/c15-6-5-10-3-4-12-13(8-10)18-14(17-12)11-2-1-7-16-9-11/h1-4,7-9H,5-6,15H2,(H,17,18)
InChIKeyZRUQBJDTOVREBY-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.13
Rot. Bonds3

About 2-(2-pyridin-3-yl-3H-benzimidazol-5-yl)ethanamine

2-(2-pyridin-3-yl-3H-benzimidazol-5-yl)ethanamine (PubChem CID 82292187) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-(2-pyridin-3-yl-3H-benzimidazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(2-pyridin-3-yl-3H-benzimidazol-5-yl)ethanamine
PubChem CID82292187
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name2-(2-pyridin-3-yl-3H-benzimidazol-5-yl)ethanamine
SMILESNCCc1ccc2nc(-c3cccnc3)[nH]c2c1
InChIInChI=1S/C14H14N4/c15-6-5-10-3-4-12-13(8-10)18-14(17-12)11-2-1-7-16-9-11/h1-4,7-9H,5-6,15H2,(H,17,18)
InChIKeyZRUQBJDTOVREBY-UHFFFAOYSA-N
XLogP2.13
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-pyridin-2-yl-3H-benzimidazol-5-yl)ethanamine
CID 82292186
2-[2-(3,4-dimethylphenyl)-3H-benzimidazol-5-yl]ethanamine
CID 82304182
2-pyridin-3-yl-1H-benzo[f]benzimidazole
CID 3152015
2-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]ethanamine
CID 63793363
2-[3-(2-aminoethyl)phenyl]-3H-benzimidazol-5-ol
CID 81431977
2-chloro-N'-(2-pyridin-3-yl-3H-benzimidazol-5-yl)ethanimidamide
CID 169368117
3-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]propan-1-amine
CID 82305555
6-prop-2-ynoxy-2-pyridin-3-yl-1H-benzimidazole
CID 84816420
5,6-difluoro-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole
CID 166873941
N-[(3,4-dimethoxyphenyl)methyl]-2-pyridin-3-yl-3H-benzimidazol-5-amine
CID 591998
[2-(3-methylphenyl)-3H-benzimidazol-5-yl]methanamine
CID 79004545
2-[3-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]ethanamine
CID 63794425

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyridin-3-yl-3H-benzimidazol-5-yl)ethanamine?
The IUPAC name of 2-(2-pyridin-3-yl-3H-benzimidazol-5-yl)ethanamine (CID 82292187) is 2-(2-pyridin-3-yl-3H-benzimidazol-5-yl)ethanamine.
What is the SMILES notation for 2-(2-pyridin-3-yl-3H-benzimidazol-5-yl)ethanamine?
The canonical SMILES for 2-(2-pyridin-3-yl-3H-benzimidazol-5-yl)ethanamine is NCCc1ccc2nc(-c3cccnc3)[nH]c2c1.
What is the InChIKey of 2-(2-pyridin-3-yl-3H-benzimidazol-5-yl)ethanamine?
The InChIKey is ZRUQBJDTOVREBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c15-6-5-10-3-4-12-13(8-10)18-14(17-12)11-2-1-7-16-9-11/h1-4,7-9H,5-6,15H2,(H,17,18).
What are the key properties of 2-(2-pyridin-3-yl-3H-benzimidazol-5-yl)ethanamine?
2-(2-pyridin-3-yl-3H-benzimidazol-5-yl)ethanamine has a molecular weight of 238.29 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyridin-3-yl-3H-benzimidazol-5-yl)ethanamine is sourced from PubChem (CID 82292187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).