1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]benzimidazole

C19H19N3 — CID 2487038

IUPAC1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]benzimidazole
SMILESC1=C(c2ccccc2)CCN(Cn2cnc3ccccc32)C1
InChIInChI=1S/C19H19N3/c1-2-6-16(7-3-1)17-10-12-21(13-11-17)15-22-14-20-18-8-4-5-9-19(18)22/h1-10,14H,11-13,15H2
InChIKeyAVGIQRYAGVZRCF-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.78
Rot. Bonds3

About 1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]benzimidazole

1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]benzimidazole (PubChem CID 2487038) has the molecular formula C19H19N3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]benzimidazole.

Molecular Properties

Compound Name1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]benzimidazole
PubChem CID2487038
Molecular FormulaC19H19N3
Molecular Weight289.38 g/mol
Exact Mass289.16
IUPAC Name1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]benzimidazole
SMILESC1=C(c2ccccc2)CCN(Cn2cnc3ccccc32)C1
InChIInChI=1S/C19H19N3/c1-2-6-16(7-3-1)17-10-12-21(13-11-17)15-22-14-20-18-8-4-5-9-19(18)22/h1-10,14H,11-13,15H2
InChIKeyAVGIQRYAGVZRCF-UHFFFAOYSA-N
XLogP3.78
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]benzimidazole?
The IUPAC name of 1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]benzimidazole (CID 2487038) is 1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]benzimidazole.
What is the SMILES notation for 1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]benzimidazole?
The canonical SMILES for 1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]benzimidazole is C1=C(c2ccccc2)CCN(Cn2cnc3ccccc32)C1.
What is the InChIKey of 1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]benzimidazole?
The InChIKey is AVGIQRYAGVZRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3/c1-2-6-16(7-3-1)17-10-12-21(13-11-17)15-22-14-20-18-8-4-5-9-19(18)22/h1-10,14H,11-13,15H2.
What are the key properties of 1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]benzimidazole?
1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]benzimidazole has a molecular weight of 289.38 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]benzimidazole is sourced from PubChem (CID 2487038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).