5-N-[4-[(2-chlorobenzoyl)amino]-3-methylphenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide

C20H18ClN5O3 — CID 118419685

IUPAC5-N-[4-[(2-chlorobenzoyl)amino]-3-methylphenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
SMILESCc1cc(N(C)C(=O)c2[nH]cnc2C(N)=O)ccc1NC(=O)c1ccccc1Cl
InChIInChI=1S/C20H18ClN5O3/c1-11-9-12(26(2)20(29)17-16(18(22)27)23-10-24-17)7-8-15(11)25-19(28)13-5-3-4-6-14(13)21/h3-10H,1-2H3,(H2,22,27)(H,23,24)(H,25,28)
InChIKeySKICSTZTQXFSGO-UHFFFAOYSA-N
MW411.85 g/mol
LogP3.00
Rot. Bonds5

About 5-N-[4-[(2-chlorobenzoyl)amino]-3-methylphenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide

5-N-[4-[(2-chlorobenzoyl)amino]-3-methylphenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide (PubChem CID 118419685) has the molecular formula C20H18ClN5O3 and a molecular weight of 411.85 g/mol. Its IUPAC name is 5-N-[4-[(2-chlorobenzoyl)amino]-3-methylphenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name5-N-[4-[(2-chlorobenzoyl)amino]-3-methylphenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
PubChem CID118419685
Molecular FormulaC20H18ClN5O3
Molecular Weight411.85 g/mol
Exact Mass411.11
IUPAC Name5-N-[4-[(2-chlorobenzoyl)amino]-3-methylphenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
SMILESCc1cc(N(C)C(=O)c2[nH]cnc2C(N)=O)ccc1NC(=O)c1ccccc1Cl
InChIInChI=1S/C20H18ClN5O3/c1-11-9-12(26(2)20(29)17-16(18(22)27)23-10-24-17)7-8-15(11)25-19(28)13-5-3-4-6-14(13)21/h3-10H,1-2H3,(H2,22,27)(H,23,24)(H,25,28)
InChIKeySKICSTZTQXFSGO-UHFFFAOYSA-N
XLogP3.00
TPSA121.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.85
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-[4-[(2-chlorobenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 118419525
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
N-[4-[(2-chlorobenzoyl)amino]-3-methylphenyl]-4-propanoyl-1H-imidazole-5-carboxamide
CID 160550258
5-N-[4-[(4-chlorobenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 118419632
4-N-[4-[(2-chlorobenzoyl)amino]-3-fluorophenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 118424174
5-N-(6-amino-3-pyridinyl)-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 118419223
2-chloro-N-[4-[4-[(2-chlorobenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide
CID 2313060
5-N-[4-[(3-methoxybenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 118419436
4-[(2-chlorobenzoyl)amino]-N,3-dimethylbenzamide
CID 131930892
5-N-[4-[(2-chloro-3-methoxybenzoyl)amino]phenyl]-5-N-ethyl-1H-imidazole-4,5-dicarboxamide
CID 118419409

Frequently Asked Questions

What is the IUPAC name of 5-N-[4-[(2-chlorobenzoyl)amino]-3-methylphenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide?
The IUPAC name of 5-N-[4-[(2-chlorobenzoyl)amino]-3-methylphenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide (CID 118419685) is 5-N-[4-[(2-chlorobenzoyl)amino]-3-methylphenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide.
What is the SMILES notation for 5-N-[4-[(2-chlorobenzoyl)amino]-3-methylphenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide?
The canonical SMILES for 5-N-[4-[(2-chlorobenzoyl)amino]-3-methylphenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide is Cc1cc(N(C)C(=O)c2[nH]cnc2C(N)=O)ccc1NC(=O)c1ccccc1Cl.
What is the InChIKey of 5-N-[4-[(2-chlorobenzoyl)amino]-3-methylphenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide?
The InChIKey is SKICSTZTQXFSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN5O3/c1-11-9-12(26(2)20(29)17-16(18(22)27)23-10-24-17)7-8-15(11)25-19(28)13-5-3-4-6-14(13)21/h3-10H,1-2H3,(H2,22,27)(H,23,24)(H,25,28).
What are the key properties of 5-N-[4-[(2-chlorobenzoyl)amino]-3-methylphenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide?
5-N-[4-[(2-chlorobenzoyl)amino]-3-methylphenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide has a molecular weight of 411.85 g/mol, XLogP of 3.00, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[4-[(2-chlorobenzoyl)amino]-3-methylphenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide is sourced from PubChem (CID 118419685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).