N-[4-(2-methoxyphenoxy)phenyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide

C23H19N3O3S — CID 42011629

IUPACN-[4-(2-methoxyphenoxy)phenyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
SMILESCOc1ccccc1Oc1ccc(NC(=O)c2c[nH]c(=S)n2-c2ccccc2)cc1
InChIInChI=1S/C23H19N3O3S/c1-28-20-9-5-6-10-21(20)29-18-13-11-16(12-14-18)25-22(27)19-15-24-23(30)26(19)17-7-3-2-4-8-17/h2-15H,1H3,(H,24,30)(H,25,27)
InChIKeyVPZBLEOCHHZKRG-UHFFFAOYSA-N
MW417.49 g/mol
LogP5.59
Rot. Bonds6

About N-[4-(2-methoxyphenoxy)phenyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide

N-[4-(2-methoxyphenoxy)phenyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide (PubChem CID 42011629) has the molecular formula C23H19N3O3S and a molecular weight of 417.49 g/mol. Its IUPAC name is N-[4-(2-methoxyphenoxy)phenyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2-methoxyphenoxy)phenyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
PubChem CID42011629
Molecular FormulaC23H19N3O3S
Molecular Weight417.49 g/mol
Exact Mass417.11
IUPAC NameN-[4-(2-methoxyphenoxy)phenyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
SMILESCOc1ccccc1Oc1ccc(NC(=O)c2c[nH]c(=S)n2-c2ccccc2)cc1
InChIInChI=1S/C23H19N3O3S/c1-28-20-9-5-6-10-21(20)29-18-13-11-16(12-14-18)25-22(27)19-15-24-23(30)26(19)17-7-3-2-4-8-17/h2-15H,1H3,(H,24,30)(H,25,27)
InChIKeyVPZBLEOCHHZKRG-UHFFFAOYSA-N
XLogP5.59
TPSA68.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.49
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-(6-methoxy-3-pyridinyl)-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
CID 24539331
N-(4-fluorophenyl)-3-(4-methylphenyl)-2-sulfanylidene-1H-imidazole-4-carboxamide
CID 58965126
N'-(4-butoxy-3-methoxybenzoyl)-3-phenyl-2-sulfanylidene-1H-imidazole-4-carbohydrazide
CID 24553487
N-[4-(2-methoxyphenoxy)phenyl]-1,2,5-trimethylpyrrole-3-carboxamide
CID 9182918
N-[4-(2-methoxyphenoxy)phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 27901826
3-ethyl-N-[4-(2-methoxyphenoxy)phenyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 24575698
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
CID 46667849
5-methoxy-1-methyl-4-oxo-N-(4-phenoxyphenyl)pyridine-2-carboxamide
CID 51054204
N-(3-ethylphenyl)-3-(4-fluorophenyl)-2-sulfanylidene-1H-imidazole-4-carboxamide
CID 17449995
2-methoxy-N-[4-(2-methoxyphenoxy)phenyl]-2-methylpropanamide
CID 131944896
2-chloro-N-[4-(2-methoxyphenoxy)phenyl]acetamide
CID 39398752
N-[4-(2-methoxyphenoxy)phenyl]piperidine-4-carboxamide
CID 119275432

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxyphenoxy)phenyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide?
The IUPAC name of N-[4-(2-methoxyphenoxy)phenyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide (CID 42011629) is N-[4-(2-methoxyphenoxy)phenyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide.
What is the SMILES notation for N-[4-(2-methoxyphenoxy)phenyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide?
The canonical SMILES for N-[4-(2-methoxyphenoxy)phenyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide is COc1ccccc1Oc1ccc(NC(=O)c2c[nH]c(=S)n2-c2ccccc2)cc1.
What is the InChIKey of N-[4-(2-methoxyphenoxy)phenyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide?
The InChIKey is VPZBLEOCHHZKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3S/c1-28-20-9-5-6-10-21(20)29-18-13-11-16(12-14-18)25-22(27)19-15-24-23(30)26(19)17-7-3-2-4-8-17/h2-15H,1H3,(H,24,30)(H,25,27).
What are the key properties of N-[4-(2-methoxyphenoxy)phenyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide?
N-[4-(2-methoxyphenoxy)phenyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide has a molecular weight of 417.49 g/mol, XLogP of 5.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxyphenoxy)phenyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide is sourced from PubChem (CID 42011629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).