1-prop-2-enyl-2-pyridin-3-ylbenzimidazol-5-amine

C15H14N4 — CID 83969024

IUPAC1-prop-2-enyl-2-pyridin-3-ylbenzimidazol-5-amine
SMILESC=CCn1c(-c2cccnc2)nc2cc(N)ccc21
InChIInChI=1S/C15H14N4/c1-2-8-19-14-6-5-12(16)9-13(14)18-15(19)11-4-3-7-17-10-11/h2-7,9-10H,1,8,16H2
InChIKeyOMEFLQJXMTWCFT-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.87
Rot. Bonds3

About 1-prop-2-enyl-2-pyridin-3-ylbenzimidazol-5-amine

1-prop-2-enyl-2-pyridin-3-ylbenzimidazol-5-amine (PubChem CID 83969024) has the molecular formula C15H14N4 and a molecular weight of 250.31 g/mol. Its IUPAC name is 1-prop-2-enyl-2-pyridin-3-ylbenzimidazol-5-amine.

Molecular Properties

Compound Name1-prop-2-enyl-2-pyridin-3-ylbenzimidazol-5-amine
PubChem CID83969024
Molecular FormulaC15H14N4
Molecular Weight250.31 g/mol
Exact Mass250.12
IUPAC Name1-prop-2-enyl-2-pyridin-3-ylbenzimidazol-5-amine
SMILESC=CCn1c(-c2cccnc2)nc2cc(N)ccc21
InChIInChI=1S/C15H14N4/c1-2-8-19-14-6-5-12(16)9-13(14)18-15(19)11-4-3-7-17-10-11/h2-7,9-10H,1,8,16H2
InChIKeyOMEFLQJXMTWCFT-UHFFFAOYSA-N
XLogP2.87
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enyl-2-pyridin-3-ylbenzimidazol-5-amine?
The IUPAC name of 1-prop-2-enyl-2-pyridin-3-ylbenzimidazol-5-amine (CID 83969024) is 1-prop-2-enyl-2-pyridin-3-ylbenzimidazol-5-amine.
What is the SMILES notation for 1-prop-2-enyl-2-pyridin-3-ylbenzimidazol-5-amine?
The canonical SMILES for 1-prop-2-enyl-2-pyridin-3-ylbenzimidazol-5-amine is C=CCn1c(-c2cccnc2)nc2cc(N)ccc21.
What is the InChIKey of 1-prop-2-enyl-2-pyridin-3-ylbenzimidazol-5-amine?
The InChIKey is OMEFLQJXMTWCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4/c1-2-8-19-14-6-5-12(16)9-13(14)18-15(19)11-4-3-7-17-10-11/h2-7,9-10H,1,8,16H2.
What are the key properties of 1-prop-2-enyl-2-pyridin-3-ylbenzimidazol-5-amine?
1-prop-2-enyl-2-pyridin-3-ylbenzimidazol-5-amine has a molecular weight of 250.31 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-2-pyridin-3-ylbenzimidazol-5-amine is sourced from PubChem (CID 83969024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).