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

C19H18ClN3 — CID 22100933

IUPAC2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-6-chloro-1H-benzimidazole
SMILESClc1ccc2nc(C3=CCN(Cc4ccccc4)CC3)[nH]c2c1
InChIInChI=1S/C19H18ClN3/c20-16-6-7-17-18(12-16)22-19(21-17)15-8-10-23(11-9-15)13-14-4-2-1-3-5-14/h1-8,12H,9-11,13H2,(H,21,22)
InChIKeyFTCUBQDATNLTBT-UHFFFAOYSA-N
MW323.83 g/mol
LogP4.51
Rot. Bonds3

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

2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-6-chloro-1H-benzimidazole (PubChem CID 22100933) has the molecular formula C19H18ClN3 and a molecular weight of 323.83 g/mol. Its IUPAC name is 2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-6-chloro-1H-benzimidazole.

Molecular Properties

Compound Name2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-6-chloro-1H-benzimidazole
PubChem CID22100933
Molecular FormulaC19H18ClN3
Molecular Weight323.83 g/mol
Exact Mass323.12
IUPAC Name2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-6-chloro-1H-benzimidazole
SMILESClc1ccc2nc(C3=CCN(Cc4ccccc4)CC3)[nH]c2c1
InChIInChI=1S/C19H18ClN3/c20-16-6-7-17-18(12-16)22-19(21-17)15-8-10-23(11-9-15)13-14-4-2-1-3-5-14/h1-8,12H,9-11,13H2,(H,21,22)
InChIKeyFTCUBQDATNLTBT-UHFFFAOYSA-N
XLogP4.51
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.83
LogP ≤ 54.51
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)-6-chloro-1H-benzimidazole?
The IUPAC name of 2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-6-chloro-1H-benzimidazole (CID 22100933) is 2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-6-chloro-1H-benzimidazole.
What is the SMILES notation for 2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-6-chloro-1H-benzimidazole?
The canonical SMILES for 2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-6-chloro-1H-benzimidazole is Clc1ccc2nc(C3=CCN(Cc4ccccc4)CC3)[nH]c2c1.
What is the InChIKey of 2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-6-chloro-1H-benzimidazole?
The InChIKey is FTCUBQDATNLTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3/c20-16-6-7-17-18(12-16)22-19(21-17)15-8-10-23(11-9-15)13-14-4-2-1-3-5-14/h1-8,12H,9-11,13H2,(H,21,22).
What are the key properties of 2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-6-chloro-1H-benzimidazole?
2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-6-chloro-1H-benzimidazole has a molecular weight of 323.83 g/mol, XLogP of 4.51, 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)-6-chloro-1H-benzimidazole is sourced from PubChem (CID 22100933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).