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

C26H28N4OS — CID 20891312

IUPACN-butan-2-yl-4-[[2-[(2-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]benzamide
SMILESCCC(C)NC(=O)c1ccc(Cn2c(SCc3ccccc3C)nc3ccncc32)cc1
InChIInChI=1S/C26H28N4OS/c1-4-19(3)28-25(31)21-11-9-20(10-12-21)16-30-24-15-27-14-13-23(24)29-26(30)32-17-22-8-6-5-7-18(22)2/h5-15,19H,4,16-17H2,1-3H3,(H,28,31)
InChIKeyGEDISXAOEOLFGO-UHFFFAOYSA-N
MW444.60 g/mol
LogP5.61
Rot. Bonds8

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

N-butan-2-yl-4-[[2-[(2-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]benzamide (PubChem CID 20891312) has the molecular formula C26H28N4OS and a molecular weight of 444.60 g/mol. Its IUPAC name is N-butan-2-yl-4-[[2-[(2-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-4-[[2-[(2-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]benzamide
PubChem CID20891312
Molecular FormulaC26H28N4OS
Molecular Weight444.60 g/mol
Exact Mass444.20
IUPAC NameN-butan-2-yl-4-[[2-[(2-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]benzamide
SMILESCCC(C)NC(=O)c1ccc(Cn2c(SCc3ccccc3C)nc3ccncc32)cc1
InChIInChI=1S/C26H28N4OS/c1-4-19(3)28-25(31)21-11-9-20(10-12-21)16-30-24-15-27-14-13-23(24)29-26(30)32-17-22-8-6-5-7-18(22)2/h5-15,19H,4,16-17H2,1-3H3,(H,28,31)
InChIKeyGEDISXAOEOLFGO-UHFFFAOYSA-N
XLogP5.61
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.60
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2-benzylsulfanylimidazo[4,5-c]pyridin-3-yl)methyl]-N-butan-2-ylbenzamide
CID 20891147
N-methyl-4-[[2-[(2-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]benzamide
CID 20891329
N-butan-2-yl-4-[[2-[(4-chlorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]benzamide
CID 46288177
4-[[2-[(4-chlorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-N-[(1R)-1-phenylethyl]benzamide
CID 92865745
N-[(2-chlorophenyl)methyl]-4-[[3-[(2-methylphenyl)methyl]imidazo[4,5-c]pyridin-2-yl]sulfanylmethyl]benzamide
CID 20887104
3-[(3-methylphenyl)methyl]-2-[(2-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridine
CID 20890837
4-[[3-[(3-methoxyphenyl)methyl]imidazo[4,5-c]pyridin-2-yl]sulfanylmethyl]-N-propan-2-ylbenzamide
CID 20891082
N-methyl-4-[[2-[(3-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]benzamide
CID 20891238
2-[(2-methylphenyl)methylsulfanyl]-3-[(2,4,6-trimethylphenyl)methyl]imidazo[4,5-c]pyridine
CID 20890865
N-[(2-methoxyphenyl)methyl]-4-[[2-[(4-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]benzamide
CID 46288270
N-(3-methylbutyl)-4-[[2-[(3-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]benzamide
CID 20891224
N-[(2-chlorophenyl)methyl]-4-[[2-[(4-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]benzamide
CID 46288182

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-[[2-[(2-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]benzamide?
The IUPAC name of N-butan-2-yl-4-[[2-[(2-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]benzamide (CID 20891312) is N-butan-2-yl-4-[[2-[(2-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]benzamide.
What is the SMILES notation for N-butan-2-yl-4-[[2-[(2-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]benzamide?
The canonical SMILES for N-butan-2-yl-4-[[2-[(2-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]benzamide is CCC(C)NC(=O)c1ccc(Cn2c(SCc3ccccc3C)nc3ccncc32)cc1.
What is the InChIKey of N-butan-2-yl-4-[[2-[(2-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]benzamide?
The InChIKey is GEDISXAOEOLFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4OS/c1-4-19(3)28-25(31)21-11-9-20(10-12-21)16-30-24-15-27-14-13-23(24)29-26(30)32-17-22-8-6-5-7-18(22)2/h5-15,19H,4,16-17H2,1-3H3,(H,28,31).
What are the key properties of N-butan-2-yl-4-[[2-[(2-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]benzamide?
N-butan-2-yl-4-[[2-[(2-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]benzamide has a molecular weight of 444.60 g/mol, XLogP of 5.61, 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-[(2-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]benzamide is sourced from PubChem (CID 20891312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).