2-(1-benzyl-4,5-diphenylimidazol-2-yl)sulfanyl-N-cyclopropylacetamide

C27H25N3OS — CID 18269176

IUPAC2-(1-benzyl-4,5-diphenylimidazol-2-yl)sulfanyl-N-cyclopropylacetamide
SMILESO=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)n1Cc1ccccc1)NC1CC1
InChIInChI=1S/C27H25N3OS/c31-24(28-23-16-17-23)19-32-27-29-25(21-12-6-2-7-13-21)26(22-14-8-3-9-15-22)30(27)18-20-10-4-1-5-11-20/h1-15,23H,16-19H2,(H,28,31)
InChIKeyVESYFIXVVVUDRV-UHFFFAOYSA-N
MW439.58 g/mol
LogP5.64
Rot. Bonds8

About 2-(1-benzyl-4,5-diphenylimidazol-2-yl)sulfanyl-N-cyclopropylacetamide

2-(1-benzyl-4,5-diphenylimidazol-2-yl)sulfanyl-N-cyclopropylacetamide (PubChem CID 18269176) has the molecular formula C27H25N3OS and a molecular weight of 439.58 g/mol. Its IUPAC name is 2-(1-benzyl-4,5-diphenylimidazol-2-yl)sulfanyl-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-(1-benzyl-4,5-diphenylimidazol-2-yl)sulfanyl-N-cyclopropylacetamide
PubChem CID18269176
Molecular FormulaC27H25N3OS
Molecular Weight439.58 g/mol
Exact Mass439.17
IUPAC Name2-(1-benzyl-4,5-diphenylimidazol-2-yl)sulfanyl-N-cyclopropylacetamide
SMILESO=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)n1Cc1ccccc1)NC1CC1
InChIInChI=1S/C27H25N3OS/c31-24(28-23-16-17-23)19-32-27-29-25(21-12-6-2-7-13-21)26(22-14-8-3-9-15-22)30(27)18-20-10-4-1-5-11-20/h1-15,23H,16-19H2,(H,28,31)
InChIKeyVESYFIXVVVUDRV-UHFFFAOYSA-N
XLogP5.64
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.58
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclopropylacetamide
CID 1313681
2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(1-benzylpiperidin-4-yl)acetamide
CID 16610716
2-[1-benzyl-5-(hydroxymethyl)imidazol-2-yl]sulfanyl-N-cyclopentylacetamide
CID 22576257
2-[[4-benzyl-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopentylacetamide
CID 4677128
2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 7855356
2-[3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanyl-N-cyclohexylacetamide
CID 2440467
N-carbamoyl-2-[1-[[(2R)-oxolan-2-yl]methyl]-4,5-diphenylimidazol-2-yl]sulfanylacetamide
CID 40783237
2-(7-benzyl-1,3-dimethyl-2,6-dioxopurin-8-yl)sulfanyl-N-cyclohexylacetamide
CID 1173813
N-cyclopropyl-2-[1-(furan-2-ylmethyl)-5-phenylimidazol-2-yl]sulfanylacetamide
CID 17448875
N-cycloheptyl-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 6408902
N-cyclopentyl-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetamide
CID 3964090
N-(1-benzylpiperidin-4-yl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 39082571

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-4,5-diphenylimidazol-2-yl)sulfanyl-N-cyclopropylacetamide?
The IUPAC name of 2-(1-benzyl-4,5-diphenylimidazol-2-yl)sulfanyl-N-cyclopropylacetamide (CID 18269176) is 2-(1-benzyl-4,5-diphenylimidazol-2-yl)sulfanyl-N-cyclopropylacetamide.
What is the SMILES notation for 2-(1-benzyl-4,5-diphenylimidazol-2-yl)sulfanyl-N-cyclopropylacetamide?
The canonical SMILES for 2-(1-benzyl-4,5-diphenylimidazol-2-yl)sulfanyl-N-cyclopropylacetamide is O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)n1Cc1ccccc1)NC1CC1.
What is the InChIKey of 2-(1-benzyl-4,5-diphenylimidazol-2-yl)sulfanyl-N-cyclopropylacetamide?
The InChIKey is VESYFIXVVVUDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3OS/c31-24(28-23-16-17-23)19-32-27-29-25(21-12-6-2-7-13-21)26(22-14-8-3-9-15-22)30(27)18-20-10-4-1-5-11-20/h1-15,23H,16-19H2,(H,28,31).
What are the key properties of 2-(1-benzyl-4,5-diphenylimidazol-2-yl)sulfanyl-N-cyclopropylacetamide?
2-(1-benzyl-4,5-diphenylimidazol-2-yl)sulfanyl-N-cyclopropylacetamide has a molecular weight of 439.58 g/mol, XLogP of 5.64, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-4,5-diphenylimidazol-2-yl)sulfanyl-N-cyclopropylacetamide is sourced from PubChem (CID 18269176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).