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

C19H17Cl2N3 — CID 22100967

IUPAC2-[1-[(3,4-dichlorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-benzimidazole
SMILESClc1ccc(CN2CC=C(c3nc4ccccc4[nH]3)CC2)cc1Cl
InChIInChI=1S/C19H17Cl2N3/c20-15-6-5-13(11-16(15)21)12-24-9-7-14(8-10-24)19-22-17-3-1-2-4-18(17)23-19/h1-7,11H,8-10,12H2,(H,22,23)
InChIKeyVYHAKKJAGYSRRF-UHFFFAOYSA-N
MW358.27 g/mol
LogP5.16
Rot. Bonds3

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

2-[1-[(3,4-dichlorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-benzimidazole (PubChem CID 22100967) has the molecular formula C19H17Cl2N3 and a molecular weight of 358.27 g/mol. Its IUPAC name is 2-[1-[(3,4-dichlorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[1-[(3,4-dichlorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-benzimidazole
PubChem CID22100967
Molecular FormulaC19H17Cl2N3
Molecular Weight358.27 g/mol
Exact Mass357.08
IUPAC Name2-[1-[(3,4-dichlorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-benzimidazole
SMILESClc1ccc(CN2CC=C(c3nc4ccccc4[nH]3)CC2)cc1Cl
InChIInChI=1S/C19H17Cl2N3/c20-15-6-5-13(11-16(15)21)12-24-9-7-14(8-10-24)19-22-17-3-1-2-4-18(17)23-19/h1-7,11H,8-10,12H2,(H,22,23)
InChIKeyVYHAKKJAGYSRRF-UHFFFAOYSA-N
XLogP5.16
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.27
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3,4-dichlorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-benzimidazole?
The IUPAC name of 2-[1-[(3,4-dichlorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-benzimidazole (CID 22100967) is 2-[1-[(3,4-dichlorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[1-[(3,4-dichlorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-benzimidazole?
The canonical SMILES for 2-[1-[(3,4-dichlorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-benzimidazole is Clc1ccc(CN2CC=C(c3nc4ccccc4[nH]3)CC2)cc1Cl.
What is the InChIKey of 2-[1-[(3,4-dichlorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-benzimidazole?
The InChIKey is VYHAKKJAGYSRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3/c20-15-6-5-13(11-16(15)21)12-24-9-7-14(8-10-24)19-22-17-3-1-2-4-18(17)23-19/h1-7,11H,8-10,12H2,(H,22,23).
What are the key properties of 2-[1-[(3,4-dichlorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-benzimidazole?
2-[1-[(3,4-dichlorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-benzimidazole has a molecular weight of 358.27 g/mol, XLogP of 5.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3,4-dichlorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-benzimidazole is sourced from PubChem (CID 22100967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).