2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)-N-(4-propan-2-ylphenyl)acetamide

C17H18N4OS — CID 20890482

IUPAC2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)CSc2nc3ccncc3[nH]2)cc1
InChIInChI=1S/C17H18N4OS/c1-11(2)12-3-5-13(6-4-12)19-16(22)10-23-17-20-14-7-8-18-9-15(14)21-17/h3-9,11H,10H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyNBDKVIGKCNDVFO-UHFFFAOYSA-N
MW326.43 g/mol
LogP3.81
Rot. Bonds5

About 2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)-N-(4-propan-2-ylphenyl)acetamide

2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 20890482) has the molecular formula C17H18N4OS and a molecular weight of 326.43 g/mol. Its IUPAC name is 2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)-N-(4-propan-2-ylphenyl)acetamide
PubChem CID20890482
Molecular FormulaC17H18N4OS
Molecular Weight326.43 g/mol
Exact Mass326.12
IUPAC Name2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)CSc2nc3ccncc3[nH]2)cc1
InChIInChI=1S/C17H18N4OS/c1-11(2)12-3-5-13(6-4-12)19-16(22)10-23-17-20-14-7-8-18-9-15(14)21-17/h3-9,11H,10H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyNBDKVIGKCNDVFO-UHFFFAOYSA-N
XLogP3.81
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethylphenyl)-2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)acetamide
CID 20890477
2-[(6-methyl-4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(4-propan-2-ylphenyl)acetamide
CID 135630759
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-[7-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]naphthalen-2-yl]acetamide
CID 17325035
2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-tert-butylphenyl)acetamide
CID 2387242
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 780764
propan-2-yl 4-[[2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]benzoate
CID 19061687
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(4-pyrazin-2-yloxyphenyl)acetamide
CID 86282814
2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-ethoxyphenyl)acetamide
CID 742340
2-(2-hydroxyethylsulfanyl)-N-(4-propan-2-ylphenyl)acetamide
CID 43392397
2-(1H-benzimidazol-2-ylsulfanyl)-N-[4-(2-phenylethenyl)phenyl]acetamide
CID 2881771
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-[4-[4-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]phenyl]sulfonylphenyl]acetamide
CID 17324815
N-(4-chlorophenyl)-2-[(6-pyrimidin-2-yl-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 86280773

Frequently Asked Questions

What is the IUPAC name of 2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)-N-(4-propan-2-ylphenyl)acetamide (CID 20890482) is 2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)-N-(4-propan-2-ylphenyl)acetamide is CC(C)c1ccc(NC(=O)CSc2nc3ccncc3[nH]2)cc1.
What is the InChIKey of 2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is NBDKVIGKCNDVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS/c1-11(2)12-3-5-13(6-4-12)19-16(22)10-23-17-20-14-7-8-18-9-15(14)21-17/h3-9,11H,10H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of 2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)-N-(4-propan-2-ylphenyl)acetamide?
2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 326.43 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 20890482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).