2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-benzhydryl-N-methylacetamide

C25H24N4OS — CID 3493951

IUPAC2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-benzhydryl-N-methylacetamide
SMILESCN(C(=O)CSc1nc(-c2ccccc2)cn1N)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H24N4OS/c1-28(24(20-13-7-3-8-14-20)21-15-9-4-10-16-21)23(30)18-31-25-27-22(17-29(25)26)19-11-5-2-6-12-19/h2-17,24H,18,26H2,1H3
InChIKeyKGWMKIJRSULRGY-UHFFFAOYSA-N
MW428.56 g/mol
LogP4.60
Rot. Bonds7

About 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-benzhydryl-N-methylacetamide

2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-benzhydryl-N-methylacetamide (PubChem CID 3493951) has the molecular formula C25H24N4OS and a molecular weight of 428.56 g/mol. Its IUPAC name is 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-benzhydryl-N-methylacetamide.

Molecular Properties

Compound Name2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-benzhydryl-N-methylacetamide
PubChem CID3493951
Molecular FormulaC25H24N4OS
Molecular Weight428.56 g/mol
Exact Mass428.17
IUPAC Name2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-benzhydryl-N-methylacetamide
SMILESCN(C(=O)CSc1nc(-c2ccccc2)cn1N)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H24N4OS/c1-28(24(20-13-7-3-8-14-20)21-15-9-4-10-16-21)23(30)18-31-25-27-22(17-29(25)26)19-11-5-2-6-12-19/h2-17,24H,18,26H2,1H3
InChIKeyKGWMKIJRSULRGY-UHFFFAOYSA-N
XLogP4.60
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.56
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-benzhydryl-N-methylacetamide?
The IUPAC name of 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-benzhydryl-N-methylacetamide (CID 3493951) is 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-benzhydryl-N-methylacetamide.
What is the SMILES notation for 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-benzhydryl-N-methylacetamide?
The canonical SMILES for 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-benzhydryl-N-methylacetamide is CN(C(=O)CSc1nc(-c2ccccc2)cn1N)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-benzhydryl-N-methylacetamide?
The InChIKey is KGWMKIJRSULRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4OS/c1-28(24(20-13-7-3-8-14-20)21-15-9-4-10-16-21)23(30)18-31-25-27-22(17-29(25)26)19-11-5-2-6-12-19/h2-17,24H,18,26H2,1H3.
What are the key properties of 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-benzhydryl-N-methylacetamide?
2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-benzhydryl-N-methylacetamide has a molecular weight of 428.56 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-benzhydryl-N-methylacetamide is sourced from PubChem (CID 3493951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).