4-[4-(cyclopropanecarbonylamino)imidazol-1-yl]-N-(3-fluoro-4-methylphenyl)benzamide

C21H19FN4O2 — CID 46390850

IUPAC4-[4-(cyclopropanecarbonylamino)imidazol-1-yl]-N-(3-fluoro-4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(-n3cnc(NC(=O)C4CC4)c3)cc2)cc1F
InChIInChI=1S/C21H19FN4O2/c1-13-2-7-16(10-18(13)22)24-20(27)15-5-8-17(9-6-15)26-11-19(23-12-26)25-21(28)14-3-4-14/h2,5-12,14H,3-4H2,1H3,(H,24,27)(H,25,28)
InChIKeyWYKNRKFTPFRSIL-UHFFFAOYSA-N
MW378.41 g/mol
LogP3.92
Rot. Bonds5

About 4-[4-(cyclopropanecarbonylamino)imidazol-1-yl]-N-(3-fluoro-4-methylphenyl)benzamide

4-[4-(cyclopropanecarbonylamino)imidazol-1-yl]-N-(3-fluoro-4-methylphenyl)benzamide (PubChem CID 46390850) has the molecular formula C21H19FN4O2 and a molecular weight of 378.41 g/mol. Its IUPAC name is 4-[4-(cyclopropanecarbonylamino)imidazol-1-yl]-N-(3-fluoro-4-methylphenyl)benzamide.

Molecular Properties

Compound Name4-[4-(cyclopropanecarbonylamino)imidazol-1-yl]-N-(3-fluoro-4-methylphenyl)benzamide
PubChem CID46390850
Molecular FormulaC21H19FN4O2
Molecular Weight378.41 g/mol
Exact Mass378.15
IUPAC Name4-[4-(cyclopropanecarbonylamino)imidazol-1-yl]-N-(3-fluoro-4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(-n3cnc(NC(=O)C4CC4)c3)cc2)cc1F
InChIInChI=1S/C21H19FN4O2/c1-13-2-7-16(10-18(13)22)24-20(27)15-5-8-17(9-6-15)26-11-19(23-12-26)25-21(28)14-3-4-14/h2,5-12,14H,3-4H2,1H3,(H,24,27)(H,25,28)
InChIKeyWYKNRKFTPFRSIL-UHFFFAOYSA-N
XLogP3.92
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(cyclopropanecarbonylamino)imidazol-1-yl]-N-(3,4,5-trimethoxyphenyl)benzamide
CID 46390835
4-(4-acetamidoimidazol-1-yl)-N-(3-chloro-4-methylphenyl)benzamide;hydrochloride
CID 146063389
N-[3-(cyclopropanecarbonylamino)phenyl]-3-fluoro-4-methylbenzamide
CID 46578980
4-[(3-fluoro-4-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782954
N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-3-fluoro-4-methylbenzamide
CID 55722774
4-ethoxy-N-(3-fluoro-4-methylphenyl)benzamide
CID 2969739
4-(cyclopropanecarbonylamino)-N-(4-methyl-3-sulfamoylphenyl)benzamide
CID 46809533
1-acetyl-N-(3-fluoro-4-methylphenyl)azetidine-3-carboxamide
CID 90511941
N-(3-fluoro-4-methylphenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 53085593
N-(3-fluoro-4-methylphenyl)-4-propan-2-yloxybenzamide
CID 7778576
ethyl 3-[[4-[4-(2-methylpropanoylamino)imidazol-1-yl]benzoyl]amino]benzoate
CID 46390792
N-[4-(cyclopropylcarbamoyl)phenyl]-1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 22831152

Frequently Asked Questions

What is the IUPAC name of 4-[4-(cyclopropanecarbonylamino)imidazol-1-yl]-N-(3-fluoro-4-methylphenyl)benzamide?
The IUPAC name of 4-[4-(cyclopropanecarbonylamino)imidazol-1-yl]-N-(3-fluoro-4-methylphenyl)benzamide (CID 46390850) is 4-[4-(cyclopropanecarbonylamino)imidazol-1-yl]-N-(3-fluoro-4-methylphenyl)benzamide.
What is the SMILES notation for 4-[4-(cyclopropanecarbonylamino)imidazol-1-yl]-N-(3-fluoro-4-methylphenyl)benzamide?
The canonical SMILES for 4-[4-(cyclopropanecarbonylamino)imidazol-1-yl]-N-(3-fluoro-4-methylphenyl)benzamide is Cc1ccc(NC(=O)c2ccc(-n3cnc(NC(=O)C4CC4)c3)cc2)cc1F.
What is the InChIKey of 4-[4-(cyclopropanecarbonylamino)imidazol-1-yl]-N-(3-fluoro-4-methylphenyl)benzamide?
The InChIKey is WYKNRKFTPFRSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O2/c1-13-2-7-16(10-18(13)22)24-20(27)15-5-8-17(9-6-15)26-11-19(23-12-26)25-21(28)14-3-4-14/h2,5-12,14H,3-4H2,1H3,(H,24,27)(H,25,28).
What are the key properties of 4-[4-(cyclopropanecarbonylamino)imidazol-1-yl]-N-(3-fluoro-4-methylphenyl)benzamide?
4-[4-(cyclopropanecarbonylamino)imidazol-1-yl]-N-(3-fluoro-4-methylphenyl)benzamide has a molecular weight of 378.41 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(cyclopropanecarbonylamino)imidazol-1-yl]-N-(3-fluoro-4-methylphenyl)benzamide is sourced from PubChem (CID 46390850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).