5-N-[4-[(3-fluoro-4-methylbenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide

C20H18FN5O3 — CID 118419065

IUPAC5-N-[4-[(3-fluoro-4-methylbenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
SMILESCc1ccc(C(=O)Nc2ccc(N(C)C(=O)c3[nH]cnc3C(N)=O)cc2)cc1F
InChIInChI=1S/C20H18FN5O3/c1-11-3-4-12(9-15(11)21)19(28)25-13-5-7-14(8-6-13)26(2)20(29)17-16(18(22)27)23-10-24-17/h3-10H,1-2H3,(H2,22,27)(H,23,24)(H,25,28)
InChIKeyQLCPNKKOPTYPDC-UHFFFAOYSA-N
MW395.39 g/mol
LogP2.49
Rot. Bonds5

About 5-N-[4-[(3-fluoro-4-methylbenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide

5-N-[4-[(3-fluoro-4-methylbenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide (PubChem CID 118419065) has the molecular formula C20H18FN5O3 and a molecular weight of 395.39 g/mol. Its IUPAC name is 5-N-[4-[(3-fluoro-4-methylbenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name5-N-[4-[(3-fluoro-4-methylbenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
PubChem CID118419065
Molecular FormulaC20H18FN5O3
Molecular Weight395.39 g/mol
Exact Mass395.14
IUPAC Name5-N-[4-[(3-fluoro-4-methylbenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
SMILESCc1ccc(C(=O)Nc2ccc(N(C)C(=O)c3[nH]cnc3C(N)=O)cc2)cc1F
InChIInChI=1S/C20H18FN5O3/c1-11-3-4-12(9-15(11)21)19(28)25-13-5-7-14(8-6-13)26(2)20(29)17-16(18(22)27)23-10-24-17/h3-10H,1-2H3,(H2,22,27)(H,23,24)(H,25,28)
InChIKeyQLCPNKKOPTYPDC-UHFFFAOYSA-N
XLogP2.49
TPSA121.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.39
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-[4-[(4-fluoro-3-methylbenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 118419472
5-N-[4-[(4-chlorobenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 118419632
5-N-[4-[(3-methoxybenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 118419436
5-N-[4-[(2-chloro-6-methylbenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 118419255
5-N-[4-[(2-chloro-4-methylbenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 118419029
5-N-[4-[(2-hydroxybenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 118419301
5-N-[4-[(2-chlorobenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 118419525
5-N-tert-butyl-5-N-[4-[(4-fluorobenzoyl)amino]phenyl]-1H-imidazole-4,5-dicarboxamide
CID 118419627
5-N-[4-[(2-chlorobenzoyl)amino]-3-methylphenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 118419685
3-fluoro-N,4-dimethyl-N-(4-methylphenyl)benzamide
CID 52851115
5-N-(6-amino-3-pyridinyl)-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 118419223
N-[3-(dimethylcarbamoyl)phenyl]-3-fluoro-4-methylbenzamide
CID 30379250

Frequently Asked Questions

What is the IUPAC name of 5-N-[4-[(3-fluoro-4-methylbenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide?
The IUPAC name of 5-N-[4-[(3-fluoro-4-methylbenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide (CID 118419065) is 5-N-[4-[(3-fluoro-4-methylbenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide.
What is the SMILES notation for 5-N-[4-[(3-fluoro-4-methylbenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide?
The canonical SMILES for 5-N-[4-[(3-fluoro-4-methylbenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide is Cc1ccc(C(=O)Nc2ccc(N(C)C(=O)c3[nH]cnc3C(N)=O)cc2)cc1F.
What is the InChIKey of 5-N-[4-[(3-fluoro-4-methylbenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide?
The InChIKey is QLCPNKKOPTYPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O3/c1-11-3-4-12(9-15(11)21)19(28)25-13-5-7-14(8-6-13)26(2)20(29)17-16(18(22)27)23-10-24-17/h3-10H,1-2H3,(H2,22,27)(H,23,24)(H,25,28).
What are the key properties of 5-N-[4-[(3-fluoro-4-methylbenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide?
5-N-[4-[(3-fluoro-4-methylbenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide has a molecular weight of 395.39 g/mol, XLogP of 2.49, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[4-[(3-fluoro-4-methylbenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide is sourced from PubChem (CID 118419065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).