2-[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]butanoylamino]benzamide

C26H24N4O2S — CID 23886369

IUPAC2-[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]butanoylamino]benzamide
SMILESCCC(Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)C(=O)Nc1ccccc1C(N)=O
InChIInChI=1S/C26H24N4O2S/c1-2-21(25(32)28-20-16-10-9-15-19(20)24(27)31)33-26-29-22(17-11-5-3-6-12-17)23(30-26)18-13-7-4-8-14-18/h3-16,21H,2H2,1H3,(H2,27,31)(H,28,32)(H,29,30)
InChIKeyMHHIQRQCFCKTMM-UHFFFAOYSA-N
MW456.57 g/mol
LogP5.35
Rot. Bonds8

About 2-[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]butanoylamino]benzamide

2-[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]butanoylamino]benzamide (PubChem CID 23886369) has the molecular formula C26H24N4O2S and a molecular weight of 456.57 g/mol. Its IUPAC name is 2-[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]butanoylamino]benzamide.

Molecular Properties

Compound Name2-[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]butanoylamino]benzamide
PubChem CID23886369
Molecular FormulaC26H24N4O2S
Molecular Weight456.57 g/mol
Exact Mass456.16
IUPAC Name2-[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]butanoylamino]benzamide
SMILESCCC(Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)C(=O)Nc1ccccc1C(N)=O
InChIInChI=1S/C26H24N4O2S/c1-2-21(25(32)28-20-16-10-9-15-19(20)24(27)31)33-26-29-22(17-11-5-3-6-12-17)23(30-26)18-13-7-4-8-14-18/h3-16,21H,2H2,1H3,(H2,27,31)(H,28,32)(H,29,30)
InChIKeyMHHIQRQCFCKTMM-UHFFFAOYSA-N
XLogP5.35
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.57
LogP ≤ 55.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-naphthalen-1-ylbutanamide
CID 23886348
2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(2,3-dimethylphenyl)butanamide
CID 23772258
2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-naphthalen-1-ylbutanamide
CID 23914464
2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-pyridin-3-ylbutanamide
CID 23886331
2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(5-chloro-2-pyridinyl)butanamide
CID 23970321
2-[2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)butanoylamino]benzamide
CID 23942416
2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)butanamide
CID 23801465
methyl 2-[[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetyl]amino]benzoate
CID 39922393
2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-(2-propan-2-ylphenyl)acetamide
CID 39757430
3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]pentane-2,4-dione
CID 13238082
(2S)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-propan-2-ylpropanamide
CID 9457048
2-(2-bromobutanoylamino)benzamide
CID 23323526

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]butanoylamino]benzamide?
The IUPAC name of 2-[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]butanoylamino]benzamide (CID 23886369) is 2-[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]butanoylamino]benzamide.
What is the SMILES notation for 2-[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]butanoylamino]benzamide?
The canonical SMILES for 2-[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]butanoylamino]benzamide is CCC(Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)C(=O)Nc1ccccc1C(N)=O.
What is the InChIKey of 2-[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]butanoylamino]benzamide?
The InChIKey is MHHIQRQCFCKTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O2S/c1-2-21(25(32)28-20-16-10-9-15-19(20)24(27)31)33-26-29-22(17-11-5-3-6-12-17)23(30-26)18-13-7-4-8-14-18/h3-16,21H,2H2,1H3,(H2,27,31)(H,28,32)(H,29,30).
What are the key properties of 2-[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]butanoylamino]benzamide?
2-[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]butanoylamino]benzamide has a molecular weight of 456.57 g/mol, XLogP of 5.35, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]butanoylamino]benzamide is sourced from PubChem (CID 23886369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).