N-butan-2-yl-4-[[2-[(4-chlorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]benzamide

C25H25ClN4OS — CID 46288177

IUPACN-butan-2-yl-4-[[2-[(4-chlorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]benzamide
SMILESCCC(C)NC(=O)c1ccc(Cn2c(SCc3ccc(Cl)cc3)nc3ccncc32)cc1
InChIInChI=1S/C25H25ClN4OS/c1-3-17(2)28-24(31)20-8-4-18(5-9-20)15-30-23-14-27-13-12-22(23)29-25(30)32-16-19-6-10-21(26)11-7-19/h4-14,17H,3,15-16H2,1-2H3,(H,28,31)
InChIKeyKPBSAULPLGZIPR-UHFFFAOYSA-N
MW465.02 g/mol
LogP5.95
Rot. Bonds8

About N-butan-2-yl-4-[[2-[(4-chlorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]benzamide

N-butan-2-yl-4-[[2-[(4-chlorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]benzamide (PubChem CID 46288177) has the molecular formula C25H25ClN4OS and a molecular weight of 465.02 g/mol. Its IUPAC name is N-butan-2-yl-4-[[2-[(4-chlorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-4-[[2-[(4-chlorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]benzamide
PubChem CID46288177
Molecular FormulaC25H25ClN4OS
Molecular Weight465.02 g/mol
Exact Mass464.14
IUPAC NameN-butan-2-yl-4-[[2-[(4-chlorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]benzamide
SMILESCCC(C)NC(=O)c1ccc(Cn2c(SCc3ccc(Cl)cc3)nc3ccncc32)cc1
InChIInChI=1S/C25H25ClN4OS/c1-3-17(2)28-24(31)20-8-4-18(5-9-20)15-30-23-14-27-13-12-22(23)29-25(30)32-16-19-6-10-21(26)11-7-19/h4-14,17H,3,15-16H2,1-2H3,(H,28,31)
InChIKeyKPBSAULPLGZIPR-UHFFFAOYSA-N
XLogP5.95
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.02
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-butan-2-yl-4-[[2-[(4-chlorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]benzamide with MolForge

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Related Compounds

4-[(2-benzylsulfanylimidazo[4,5-c]pyridin-3-yl)methyl]-N-butan-2-ylbenzamide
CID 20891147
4-[[2-[(4-chlorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-N-[(1R)-1-phenylethyl]benzamide
CID 92865745
N-butan-2-yl-4-[[2-[(2-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]benzamide
CID 20891312
4-[[2-[(4-chlorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-N-(3-ethoxypropyl)benzamide
CID 50764041
4-[[3-[(3-methoxyphenyl)methyl]imidazo[4,5-c]pyridin-2-yl]sulfanylmethyl]-N-propan-2-ylbenzamide
CID 20891082
4-[[2-[(4-chlorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 50764050
methyl 4-[[3-[(4-methoxyphenyl)methyl]imidazo[4,5-c]pyridin-2-yl]sulfanylmethyl]benzoate
CID 20887072
N-[2-(diethylamino)ethyl]-4-[[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]benzamide
CID 20891183
N-[(4-ethoxyphenyl)methyl]-4-[[2-[(4-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]benzamide
CID 46288341
N-methyl-4-[[2-[(3-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]benzamide
CID 20891238
[4-[[3-[(4-methylphenyl)methyl]imidazo[4,5-c]pyridin-2-yl]sulfanylmethyl]phenyl]-pyrrolidin-1-ylmethanone
CID 20891018
N-cyclopentyl-4-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-c]pyridin-2-yl]sulfanylmethyl]benzamide
CID 15945519

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-[[2-[(4-chlorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]benzamide?
The IUPAC name of N-butan-2-yl-4-[[2-[(4-chlorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]benzamide (CID 46288177) is N-butan-2-yl-4-[[2-[(4-chlorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]benzamide.
What is the SMILES notation for N-butan-2-yl-4-[[2-[(4-chlorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]benzamide?
The canonical SMILES for N-butan-2-yl-4-[[2-[(4-chlorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]benzamide is CCC(C)NC(=O)c1ccc(Cn2c(SCc3ccc(Cl)cc3)nc3ccncc32)cc1.
What is the InChIKey of N-butan-2-yl-4-[[2-[(4-chlorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]benzamide?
The InChIKey is KPBSAULPLGZIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN4OS/c1-3-17(2)28-24(31)20-8-4-18(5-9-20)15-30-23-14-27-13-12-22(23)29-25(30)32-16-19-6-10-21(26)11-7-19/h4-14,17H,3,15-16H2,1-2H3,(H,28,31).
What are the key properties of N-butan-2-yl-4-[[2-[(4-chlorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]benzamide?
N-butan-2-yl-4-[[2-[(4-chlorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]benzamide has a molecular weight of 465.02 g/mol, XLogP of 5.95, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-[[2-[(4-chlorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]benzamide is sourced from PubChem (CID 46288177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).