2-(3,5-dichlorophenyl)sulfanyl-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide

C17H14Cl2N4OS — CID 134164319

IUPAC2-(3,5-dichlorophenyl)sulfanyl-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide
SMILESCN(C(=O)c1cnc(Sc2cc(Cl)cc(Cl)c2)n1C)c1cccnc1
InChIInChI=1S/C17H14Cl2N4OS/c1-22(13-4-3-5-20-9-13)16(24)15-10-21-17(23(15)2)25-14-7-11(18)6-12(19)8-14/h3-10H,1-2H3
InChIKeyDKDQMIXQVHQUIC-UHFFFAOYSA-N
MW393.30 g/mol
LogP4.55
Rot. Bonds4

About 2-(3,5-dichlorophenyl)sulfanyl-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide

2-(3,5-dichlorophenyl)sulfanyl-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide (PubChem CID 134164319) has the molecular formula C17H14Cl2N4OS and a molecular weight of 393.30 g/mol. Its IUPAC name is 2-(3,5-dichlorophenyl)sulfanyl-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(3,5-dichlorophenyl)sulfanyl-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide
PubChem CID134164319
Molecular FormulaC17H14Cl2N4OS
Molecular Weight393.30 g/mol
Exact Mass392.03
IUPAC Name2-(3,5-dichlorophenyl)sulfanyl-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide
SMILESCN(C(=O)c1cnc(Sc2cc(Cl)cc(Cl)c2)n1C)c1cccnc1
InChIInChI=1S/C17H14Cl2N4OS/c1-22(13-4-3-5-20-9-13)16(24)15-10-21-17(23(15)2)25-14-7-11(18)6-12(19)8-14/h3-10H,1-2H3
InChIKeyDKDQMIXQVHQUIC-UHFFFAOYSA-N
XLogP4.55
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.30
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,3-dimethyl-2-(5-methylpyrimidin-2-yl)sulfanyl-N-pyridin-3-ylimidazole-4-carboxamide
CID 134164300
2-butylsulfanyl-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide
CID 134164271
2-(3-chlorophenoxy)-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide
CID 130330750
N,3-dimethyl-N-pyridin-3-yl-2-(pyridin-2-ylmethylsulfanyl)imidazole-4-carboxamide
CID 134164302
N,3-dimethyl-2-(oxan-4-ylsulfanyl)-N-pyridin-3-ylimidazole-4-carboxamide
CID 134164274
N,3-dimethyl-2-morpholin-4-yl-N-pyridin-3-ylimidazole-4-carboxamide
CID 130302801
N-methyl-N-[1-(3-methyl-2-pyrimidin-2-ylsulfanylimidazol-4-yl)ethenyl]pyridin-3-amine
CID 139421049
2-[(Z)-hydroxyiminomethyl]-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide
CID 138675099
2-[hydroxy(methoxy)methyl]-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide
CID 134260928
5-(4-chlorobenzoyl)-N,1,4-trimethyl-N-pyridin-3-ylpyrrole-2-carboxamide
CID 67611102
2-(4-cyanopiperidin-1-yl)-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide
CID 137496518
N,3-dimethyl-2-(1-methyltriazol-4-yl)-N-pyridin-3-ylimidazole-4-carboxamide
CID 130332406

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenyl)sulfanyl-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide?
The IUPAC name of 2-(3,5-dichlorophenyl)sulfanyl-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide (CID 134164319) is 2-(3,5-dichlorophenyl)sulfanyl-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide.
What is the SMILES notation for 2-(3,5-dichlorophenyl)sulfanyl-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide?
The canonical SMILES for 2-(3,5-dichlorophenyl)sulfanyl-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide is CN(C(=O)c1cnc(Sc2cc(Cl)cc(Cl)c2)n1C)c1cccnc1.
What is the InChIKey of 2-(3,5-dichlorophenyl)sulfanyl-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide?
The InChIKey is DKDQMIXQVHQUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N4OS/c1-22(13-4-3-5-20-9-13)16(24)15-10-21-17(23(15)2)25-14-7-11(18)6-12(19)8-14/h3-10H,1-2H3.
What are the key properties of 2-(3,5-dichlorophenyl)sulfanyl-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide?
2-(3,5-dichlorophenyl)sulfanyl-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide has a molecular weight of 393.30 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichlorophenyl)sulfanyl-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide is sourced from PubChem (CID 134164319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).