2-(2-chloro-3-pyridinyl)-1-prop-2-enylbenzimidazole

C15H12ClN3 — CID 1474291

IUPAC2-(2-chloro-3-pyridinyl)-1-prop-2-enylbenzimidazole
SMILESC=CCn1c(-c2cccnc2Cl)nc2ccccc21
InChIInChI=1S/C15H12ClN3/c1-2-10-19-13-8-4-3-7-12(13)18-15(19)11-6-5-9-17-14(11)16/h2-9H,1,10H2
InChIKeyLSLATZWQNULGKH-UHFFFAOYSA-N
MW269.74 g/mol
LogP3.94
Rot. Bonds3

About 2-(2-chloro-3-pyridinyl)-1-prop-2-enylbenzimidazole

2-(2-chloro-3-pyridinyl)-1-prop-2-enylbenzimidazole (PubChem CID 1474291) has the molecular formula C15H12ClN3 and a molecular weight of 269.74 g/mol. Its IUPAC name is 2-(2-chloro-3-pyridinyl)-1-prop-2-enylbenzimidazole.

Molecular Properties

Compound Name2-(2-chloro-3-pyridinyl)-1-prop-2-enylbenzimidazole
PubChem CID1474291
Molecular FormulaC15H12ClN3
Molecular Weight269.74 g/mol
Exact Mass269.07
IUPAC Name2-(2-chloro-3-pyridinyl)-1-prop-2-enylbenzimidazole
SMILESC=CCn1c(-c2cccnc2Cl)nc2ccccc21
InChIInChI=1S/C15H12ClN3/c1-2-10-19-13-8-4-3-7-12(13)18-15(19)11-6-5-9-17-14(11)16/h2-9H,1,10H2
InChIKeyLSLATZWQNULGKH-UHFFFAOYSA-N
XLogP3.94
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.74
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3-pyridinyl)-1-prop-2-enylbenzimidazole?
The IUPAC name of 2-(2-chloro-3-pyridinyl)-1-prop-2-enylbenzimidazole (CID 1474291) is 2-(2-chloro-3-pyridinyl)-1-prop-2-enylbenzimidazole.
What is the SMILES notation for 2-(2-chloro-3-pyridinyl)-1-prop-2-enylbenzimidazole?
The canonical SMILES for 2-(2-chloro-3-pyridinyl)-1-prop-2-enylbenzimidazole is C=CCn1c(-c2cccnc2Cl)nc2ccccc21.
What is the InChIKey of 2-(2-chloro-3-pyridinyl)-1-prop-2-enylbenzimidazole?
The InChIKey is LSLATZWQNULGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3/c1-2-10-19-13-8-4-3-7-12(13)18-15(19)11-6-5-9-17-14(11)16/h2-9H,1,10H2.
What are the key properties of 2-(2-chloro-3-pyridinyl)-1-prop-2-enylbenzimidazole?
2-(2-chloro-3-pyridinyl)-1-prop-2-enylbenzimidazole has a molecular weight of 269.74 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3-pyridinyl)-1-prop-2-enylbenzimidazole is sourced from PubChem (CID 1474291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).