2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1H-benzimidazole

C19H19N3 — CID 749986

IUPAC2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1H-benzimidazole
SMILESC1=C(c2nc3ccccc3[nH]2)CCN(Cc2ccccc2)C1
InChIInChI=1S/C19H19N3/c1-2-6-15(7-3-1)14-22-12-10-16(11-13-22)19-20-17-8-4-5-9-18(17)21-19/h1-10H,11-14H2,(H,20,21)
InChIKeyWWKHLSANYDLDKY-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.85
Rot. Bonds3

About 2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1H-benzimidazole

2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1H-benzimidazole (PubChem CID 749986) has the molecular formula C19H19N3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1H-benzimidazole
PubChem CID749986
Molecular FormulaC19H19N3
Molecular Weight289.38 g/mol
Exact Mass289.16
IUPAC Name2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1H-benzimidazole
SMILESC1=C(c2nc3ccccc3[nH]2)CCN(Cc2ccccc2)C1
InChIInChI=1S/C19H19N3/c1-2-6-15(7-3-1)14-22-12-10-16(11-13-22)19-20-17-8-4-5-9-18(17)21-19/h1-10H,11-14H2,(H,20,21)
InChIKeyWWKHLSANYDLDKY-UHFFFAOYSA-N
XLogP3.85
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1H-benzimidazole?
The IUPAC name of 2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1H-benzimidazole (CID 749986) is 2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1H-benzimidazole.
What is the SMILES notation for 2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1H-benzimidazole?
The canonical SMILES for 2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1H-benzimidazole is C1=C(c2nc3ccccc3[nH]2)CCN(Cc2ccccc2)C1.
What is the InChIKey of 2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1H-benzimidazole?
The InChIKey is WWKHLSANYDLDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3/c1-2-6-15(7-3-1)14-22-12-10-16(11-13-22)19-20-17-8-4-5-9-18(17)21-19/h1-10H,11-14H2,(H,20,21).
What are the key properties of 2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1H-benzimidazole?
2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1H-benzimidazole has a molecular weight of 289.38 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1H-benzimidazole is sourced from PubChem (CID 749986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).