1-(1-pyridin-4-ylbenzimidazol-2-yl)ethanamine

C14H14N4 — CID 78166390

IUPAC1-(1-pyridin-4-ylbenzimidazol-2-yl)ethanamine
SMILESCC(N)c1nc2ccccc2n1-c1ccncc1
InChIInChI=1S/C14H14N4/c1-10(15)14-17-12-4-2-3-5-13(12)18(14)11-6-8-16-9-7-11/h2-10H,15H2,1H3
InChIKeyLAVQQACTFVCDCG-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.44
Rot. Bonds2

About 1-(1-pyridin-4-ylbenzimidazol-2-yl)ethanamine

1-(1-pyridin-4-ylbenzimidazol-2-yl)ethanamine (PubChem CID 78166390) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-(1-pyridin-4-ylbenzimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(1-pyridin-4-ylbenzimidazol-2-yl)ethanamine
PubChem CID78166390
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name1-(1-pyridin-4-ylbenzimidazol-2-yl)ethanamine
SMILESCC(N)c1nc2ccccc2n1-c1ccncc1
InChIInChI=1S/C14H14N4/c1-10(15)14-17-12-4-2-3-5-13(12)18(14)11-6-8-16-9-7-11/h2-10H,15H2,1H3
InChIKeyLAVQQACTFVCDCG-UHFFFAOYSA-N
XLogP2.44
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-pyridin-4-ylbenzimidazol-2-yl)ethanamine?
The IUPAC name of 1-(1-pyridin-4-ylbenzimidazol-2-yl)ethanamine (CID 78166390) is 1-(1-pyridin-4-ylbenzimidazol-2-yl)ethanamine.
What is the SMILES notation for 1-(1-pyridin-4-ylbenzimidazol-2-yl)ethanamine?
The canonical SMILES for 1-(1-pyridin-4-ylbenzimidazol-2-yl)ethanamine is CC(N)c1nc2ccccc2n1-c1ccncc1.
What is the InChIKey of 1-(1-pyridin-4-ylbenzimidazol-2-yl)ethanamine?
The InChIKey is LAVQQACTFVCDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-10(15)14-17-12-4-2-3-5-13(12)18(14)11-6-8-16-9-7-11/h2-10H,15H2,1H3.
What are the key properties of 1-(1-pyridin-4-ylbenzimidazol-2-yl)ethanamine?
1-(1-pyridin-4-ylbenzimidazol-2-yl)ethanamine has a molecular weight of 238.29 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-pyridin-4-ylbenzimidazol-2-yl)ethanamine is sourced from PubChem (CID 78166390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).