1-[2-(2,6-dichloroanilino)-3H-imidazo[4,5-c]pyridin-6-yl]ethanone

C14H10Cl2N4O — CID 90793369

IUPAC1-[2-(2,6-dichloroanilino)-3H-imidazo[4,5-c]pyridin-6-yl]ethanone
SMILESCC(=O)c1cc2nc(Nc3c(Cl)cccc3Cl)[nH]c2cn1
InChIInChI=1S/C14H10Cl2N4O/c1-7(21)10-5-11-12(6-17-10)19-14(18-11)20-13-8(15)3-2-4-9(13)16/h2-6H,1H3,(H2,18,19,20)
InChIKeyLCSZYWPLZJWEQL-UHFFFAOYSA-N
MW321.17 g/mol
LogP4.21
Rot. Bonds3

About 1-[2-(2,6-dichloroanilino)-3H-imidazo[4,5-c]pyridin-6-yl]ethanone

1-[2-(2,6-dichloroanilino)-3H-imidazo[4,5-c]pyridin-6-yl]ethanone (PubChem CID 90793369) has the molecular formula C14H10Cl2N4O and a molecular weight of 321.17 g/mol. Its IUPAC name is 1-[2-(2,6-dichloroanilino)-3H-imidazo[4,5-c]pyridin-6-yl]ethanone.

Molecular Properties

Compound Name1-[2-(2,6-dichloroanilino)-3H-imidazo[4,5-c]pyridin-6-yl]ethanone
PubChem CID90793369
Molecular FormulaC14H10Cl2N4O
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC Name1-[2-(2,6-dichloroanilino)-3H-imidazo[4,5-c]pyridin-6-yl]ethanone
SMILESCC(=O)c1cc2nc(Nc3c(Cl)cccc3Cl)[nH]c2cn1
InChIInChI=1S/C14H10Cl2N4O/c1-7(21)10-5-11-12(6-17-10)19-14(18-11)20-13-8(15)3-2-4-9(13)16/h2-6H,1H3,(H2,18,19,20)
InChIKeyLCSZYWPLZJWEQL-UHFFFAOYSA-N
XLogP4.21
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,6-dichloroanilino)-3H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 67327957
N-(4-cyclopropyl-2-pyridinyl)-2-(2,6-dichloroanilino)-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 45137822
2-(2,6-dichloroanilino)-N-[[2-(trifluoromethyl)phenyl]methyl]-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 45137973
N-(4-chloro-3-fluorophenyl)-2-(2,6-dichloroanilino)-6-fluoro-1H-benzimidazole-5-carboxamide
CID 45137009
7-bromo-2-(2,6-dichloroanilino)-N-propan-2-yl-3H-benzimidazole-5-carboxamide
CID 58562378
N-(3-bromophenyl)-2-(2,6-dichloroanilino)-3H-benzimidazole-5-carboxamide
CID 45138811
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2,6-dichloroanilino)-3H-benzimidazole-5-carboxamide
CID 87318781
2-(2,6-dichloroanilino)-6-methoxy-N-[(3-methyl-2-pyridinyl)methyl]-3H-benzimidazole-5-carboxamide
CID 70897211
N-(4-chloro-2-pyridinyl)-2-(2,6-dichloroanilino)-3H-benzimidazole-5-carboxamide;cyclobutanamine
CID 143961942
methyl 7-(2,6-dichloroanilino)-2-methyl-6H-imidazo[4,5-e][1,3]benzoxazole-4-carboxylate
CID 67503962
N-(5-bromo-2-pyridinyl)-2-(2,6-dichloroanilino)-7-methyl-3H-furo[3,2-e]benzimidazole-5-carboxamide
CID 67504376
2-(2,6-dichloroanilino)-6-fluoro-N-(1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)-1H-benzimidazole-5-carboxamide
CID 45137301

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-dichloroanilino)-3H-imidazo[4,5-c]pyridin-6-yl]ethanone?
The IUPAC name of 1-[2-(2,6-dichloroanilino)-3H-imidazo[4,5-c]pyridin-6-yl]ethanone (CID 90793369) is 1-[2-(2,6-dichloroanilino)-3H-imidazo[4,5-c]pyridin-6-yl]ethanone.
What is the SMILES notation for 1-[2-(2,6-dichloroanilino)-3H-imidazo[4,5-c]pyridin-6-yl]ethanone?
The canonical SMILES for 1-[2-(2,6-dichloroanilino)-3H-imidazo[4,5-c]pyridin-6-yl]ethanone is CC(=O)c1cc2nc(Nc3c(Cl)cccc3Cl)[nH]c2cn1.
What is the InChIKey of 1-[2-(2,6-dichloroanilino)-3H-imidazo[4,5-c]pyridin-6-yl]ethanone?
The InChIKey is LCSZYWPLZJWEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N4O/c1-7(21)10-5-11-12(6-17-10)19-14(18-11)20-13-8(15)3-2-4-9(13)16/h2-6H,1H3,(H2,18,19,20).
What are the key properties of 1-[2-(2,6-dichloroanilino)-3H-imidazo[4,5-c]pyridin-6-yl]ethanone?
1-[2-(2,6-dichloroanilino)-3H-imidazo[4,5-c]pyridin-6-yl]ethanone has a molecular weight of 321.17 g/mol, XLogP of 4.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,6-dichloroanilino)-3H-imidazo[4,5-c]pyridin-6-yl]ethanone is sourced from PubChem (CID 90793369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).