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

C19H12Cl3N3O — CID 1471042

IUPAC3-[5,6-dichloro-1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-1H-pyridin-2-one
SMILESO=c1[nH]cccc1-c1nc2cc(Cl)c(Cl)cc2n1Cc1cccc(Cl)c1
InChIInChI=1S/C19H12Cl3N3O/c20-12-4-1-3-11(7-12)10-25-17-9-15(22)14(21)8-16(17)24-18(25)13-5-2-6-23-19(13)26/h1-9H,10H2,(H,23,26)
InChIKeyLRQSQUIWBCLXLT-UHFFFAOYSA-N
MW404.68 g/mol
LogP5.40
Rot. Bonds3

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

3-[5,6-dichloro-1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-1H-pyridin-2-one (PubChem CID 1471042) has the molecular formula C19H12Cl3N3O and a molecular weight of 404.68 g/mol. Its IUPAC name is 3-[5,6-dichloro-1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[5,6-dichloro-1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-1H-pyridin-2-one
PubChem CID1471042
Molecular FormulaC19H12Cl3N3O
Molecular Weight404.68 g/mol
Exact Mass403.00
IUPAC Name3-[5,6-dichloro-1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-1H-pyridin-2-one
SMILESO=c1[nH]cccc1-c1nc2cc(Cl)c(Cl)cc2n1Cc1cccc(Cl)c1
InChIInChI=1S/C19H12Cl3N3O/c20-12-4-1-3-11(7-12)10-25-17-9-15(22)14(21)8-16(17)24-18(25)13-5-2-6-23-19(13)26/h1-9H,10H2,(H,23,26)
InChIKeyLRQSQUIWBCLXLT-UHFFFAOYSA-N
XLogP5.40
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.68
LogP ≤ 55.40
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-chlorophenyl)methyl]benzimidazol-2-yl]-1H-pyridin-2-one?
The IUPAC name of 3-[5,6-dichloro-1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-1H-pyridin-2-one (CID 1471042) is 3-[5,6-dichloro-1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-1H-pyridin-2-one.
What is the SMILES notation for 3-[5,6-dichloro-1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-1H-pyridin-2-one?
The canonical SMILES for 3-[5,6-dichloro-1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-1H-pyridin-2-one is O=c1[nH]cccc1-c1nc2cc(Cl)c(Cl)cc2n1Cc1cccc(Cl)c1.
What is the InChIKey of 3-[5,6-dichloro-1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-1H-pyridin-2-one?
The InChIKey is LRQSQUIWBCLXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl3N3O/c20-12-4-1-3-11(7-12)10-25-17-9-15(22)14(21)8-16(17)24-18(25)13-5-2-6-23-19(13)26/h1-9H,10H2,(H,23,26).
What are the key properties of 3-[5,6-dichloro-1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-1H-pyridin-2-one?
3-[5,6-dichloro-1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-1H-pyridin-2-one has a molecular weight of 404.68 g/mol, XLogP of 5.40, 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-chlorophenyl)methyl]benzimidazol-2-yl]-1H-pyridin-2-one is sourced from PubChem (CID 1471042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).