3-[5,6-dichloro-1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]-1H-pyridin-2-one

C19H11Cl4N3O — CID 3759652

IUPAC3-[5,6-dichloro-1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]-1H-pyridin-2-one
SMILESO=c1[nH]cccc1-c1nc2cc(Cl)c(Cl)cc2n1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H11Cl4N3O/c20-12-4-3-10(6-13(12)21)9-26-17-8-15(23)14(22)7-16(17)25-18(26)11-2-1-5-24-19(11)27/h1-8H,9H2,(H,24,27)
InChIKeyYWRZQJFRLSVZPJ-UHFFFAOYSA-N
MW439.13 g/mol
LogP6.05
Rot. Bonds3

About 3-[5,6-dichloro-1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]-1H-pyridin-2-one

3-[5,6-dichloro-1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]-1H-pyridin-2-one (PubChem CID 3759652) has the molecular formula C19H11Cl4N3O and a molecular weight of 439.13 g/mol. Its IUPAC name is 3-[5,6-dichloro-1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[5,6-dichloro-1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]-1H-pyridin-2-one
PubChem CID3759652
Molecular FormulaC19H11Cl4N3O
Molecular Weight439.13 g/mol
Exact Mass436.97
IUPAC Name3-[5,6-dichloro-1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]-1H-pyridin-2-one
SMILESO=c1[nH]cccc1-c1nc2cc(Cl)c(Cl)cc2n1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H11Cl4N3O/c20-12-4-3-10(6-13(12)21)9-26-17-8-15(23)14(22)7-16(17)25-18(26)11-2-1-5-24-19(11)27/h1-8H,9H2,(H,24,27)
InChIKeyYWRZQJFRLSVZPJ-UHFFFAOYSA-N
XLogP6.05
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.13
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[5,6-dichloro-1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]-1H-pyridin-2-one?
The IUPAC name of 3-[5,6-dichloro-1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]-1H-pyridin-2-one (CID 3759652) is 3-[5,6-dichloro-1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]-1H-pyridin-2-one.
What is the SMILES notation for 3-[5,6-dichloro-1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]-1H-pyridin-2-one?
The canonical SMILES for 3-[5,6-dichloro-1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]-1H-pyridin-2-one is O=c1[nH]cccc1-c1nc2cc(Cl)c(Cl)cc2n1Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-[5,6-dichloro-1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]-1H-pyridin-2-one?
The InChIKey is YWRZQJFRLSVZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11Cl4N3O/c20-12-4-3-10(6-13(12)21)9-26-17-8-15(23)14(22)7-16(17)25-18(26)11-2-1-5-24-19(11)27/h1-8H,9H2,(H,24,27).
What are the key properties of 3-[5,6-dichloro-1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]-1H-pyridin-2-one?
3-[5,6-dichloro-1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]-1H-pyridin-2-one has a molecular weight of 439.13 g/mol, XLogP of 6.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5,6-dichloro-1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]-1H-pyridin-2-one is sourced from PubChem (CID 3759652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).