1-phenyl-2-pyridin-2-yl-4,5-dihydrobenzimidazole

C18H15N3 — CID 70894526

IUPAC1-phenyl-2-pyridin-2-yl-4,5-dihydrobenzimidazole
SMILESC1=Cc2c(nc(-c3ccccn3)n2-c2ccccc2)CC1
InChIInChI=1S/C18H15N3/c1-2-8-14(9-3-1)21-17-12-5-4-10-15(17)20-18(21)16-11-6-7-13-19-16/h1-3,5-9,11-13H,4,10H2
InChIKeyOAXANCZDSNMPBA-UHFFFAOYSA-N
MW273.34 g/mol
LogP3.89
Rot. Bonds2

About 1-phenyl-2-pyridin-2-yl-4,5-dihydrobenzimidazole

1-phenyl-2-pyridin-2-yl-4,5-dihydrobenzimidazole (PubChem CID 70894526) has the molecular formula C18H15N3 and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-phenyl-2-pyridin-2-yl-4,5-dihydrobenzimidazole.

Molecular Properties

Compound Name1-phenyl-2-pyridin-2-yl-4,5-dihydrobenzimidazole
PubChem CID70894526
Molecular FormulaC18H15N3
Molecular Weight273.34 g/mol
Exact Mass273.13
IUPAC Name1-phenyl-2-pyridin-2-yl-4,5-dihydrobenzimidazole
SMILESC1=Cc2c(nc(-c3ccccn3)n2-c2ccccc2)CC1
InChIInChI=1S/C18H15N3/c1-2-8-14(9-3-1)21-17-12-5-4-10-15(17)20-18(21)16-11-6-7-13-19-16/h1-3,5-9,11-13H,4,10H2
InChIKeyOAXANCZDSNMPBA-UHFFFAOYSA-N
XLogP3.89
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-pyridin-2-yl-4,5-dihydrobenzimidazole?
The IUPAC name of 1-phenyl-2-pyridin-2-yl-4,5-dihydrobenzimidazole (CID 70894526) is 1-phenyl-2-pyridin-2-yl-4,5-dihydrobenzimidazole.
What is the SMILES notation for 1-phenyl-2-pyridin-2-yl-4,5-dihydrobenzimidazole?
The canonical SMILES for 1-phenyl-2-pyridin-2-yl-4,5-dihydrobenzimidazole is C1=Cc2c(nc(-c3ccccn3)n2-c2ccccc2)CC1.
What is the InChIKey of 1-phenyl-2-pyridin-2-yl-4,5-dihydrobenzimidazole?
The InChIKey is OAXANCZDSNMPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3/c1-2-8-14(9-3-1)21-17-12-5-4-10-15(17)20-18(21)16-11-6-7-13-19-16/h1-3,5-9,11-13H,4,10H2.
What are the key properties of 1-phenyl-2-pyridin-2-yl-4,5-dihydrobenzimidazole?
1-phenyl-2-pyridin-2-yl-4,5-dihydrobenzimidazole has a molecular weight of 273.34 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-pyridin-2-yl-4,5-dihydrobenzimidazole is sourced from PubChem (CID 70894526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).