N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxamide

C22H21FN4O2S — CID 24645121

IUPACN-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxamide
SMILESCSc1ncc(C(=O)NCc2cccc(NC(=O)C3CC3)c2)n1-c1ccc(F)cc1
InChIInChI=1S/C22H21FN4O2S/c1-30-22-25-13-19(27(22)18-9-7-16(23)8-10-18)21(29)24-12-14-3-2-4-17(11-14)26-20(28)15-5-6-15/h2-4,7-11,13,15H,5-6,12H2,1H3,(H,24,29)(H,26,28)
InChIKeyYNLYYJVPKVCZJZ-UHFFFAOYSA-N
MW424.50 g/mol
LogP4.01
Rot. Bonds7

About N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxamide

N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxamide (PubChem CID 24645121) has the molecular formula C22H21FN4O2S and a molecular weight of 424.50 g/mol. Its IUPAC name is N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxamide
PubChem CID24645121
Molecular FormulaC22H21FN4O2S
Molecular Weight424.50 g/mol
Exact Mass424.14
IUPAC NameN-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxamide
SMILESCSc1ncc(C(=O)NCc2cccc(NC(=O)C3CC3)c2)n1-c1ccc(F)cc1
InChIInChI=1S/C22H21FN4O2S/c1-30-22-25-13-19(27(22)18-9-7-16(23)8-10-18)21(29)24-12-14-3-2-4-17(11-14)26-20(28)15-5-6-15/h2-4,7-11,13,15H,5-6,12H2,1H3,(H,24,29)(H,26,28)
InChIKeyYNLYYJVPKVCZJZ-UHFFFAOYSA-N
XLogP4.01
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxamide 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

3-(4-fluorophenyl)-N-[[3-[(2-methoxyacetyl)amino]phenyl]methyl]-2-methylsulfanylimidazole-4-carboxamide
CID 37356551
N-[3-(cyclopropylsulfamoyl)phenyl]-3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxamide
CID 33311148
N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-6-methylpyridine-3-carboxamide
CID 30342481
2-methylsulfanyl-3-phenyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]imidazole-4-carboxamide
CID 46477193
N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 46514810
2-bromo-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-4-fluorobenzamide
CID 17493855
N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-2-fluorobenzamide
CID 17498569
N-(4-acetamidophenyl)-3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxamide
CID 34316971
N-[2-[(2-fluorobenzoyl)amino]ethyl]-3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxamide
CID 55973799
N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 46669675
5-(cyclopropanecarbonylamino)-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]thiophene-2-carboxamide
CID 17492769
4-N-(3-fluorophenyl)-1-N-[(3-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148115

Frequently Asked Questions

What is the IUPAC name of N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxamide?
The IUPAC name of N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxamide (CID 24645121) is N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxamide.
What is the SMILES notation for N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxamide?
The canonical SMILES for N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxamide is CSc1ncc(C(=O)NCc2cccc(NC(=O)C3CC3)c2)n1-c1ccc(F)cc1.
What is the InChIKey of N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxamide?
The InChIKey is YNLYYJVPKVCZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O2S/c1-30-22-25-13-19(27(22)18-9-7-16(23)8-10-18)21(29)24-12-14-3-2-4-17(11-14)26-20(28)15-5-6-15/h2-4,7-11,13,15H,5-6,12H2,1H3,(H,24,29)(H,26,28).
What are the key properties of N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxamide?
N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxamide has a molecular weight of 424.50 g/mol, XLogP of 4.01, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxamide is sourced from PubChem (CID 24645121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).