N-[4-[2-(2-chloro-4-methylphenyl)-2-oxoethyl]phenyl]-4-propanoyl-1H-imidazole-5-carboxamide

C22H20ClN3O3 — CID 161261913

IUPACN-[4-[2-(2-chloro-4-methylphenyl)-2-oxoethyl]phenyl]-4-propanoyl-1H-imidazole-5-carboxamide
SMILESCCC(=O)c1nc[nH]c1C(=O)Nc1ccc(CC(=O)c2ccc(C)cc2Cl)cc1
InChIInChI=1S/C22H20ClN3O3/c1-3-18(27)20-21(25-12-24-20)22(29)26-15-7-5-14(6-8-15)11-19(28)16-9-4-13(2)10-17(16)23/h4-10,12H,3,11H2,1-2H3,(H,24,25)(H,26,29)
InChIKeyVCQXGDMDYYIWOW-UHFFFAOYSA-N
MW409.87 g/mol
LogP4.64
Rot. Bonds7

About N-[4-[2-(2-chloro-4-methylphenyl)-2-oxoethyl]phenyl]-4-propanoyl-1H-imidazole-5-carboxamide

N-[4-[2-(2-chloro-4-methylphenyl)-2-oxoethyl]phenyl]-4-propanoyl-1H-imidazole-5-carboxamide (PubChem CID 161261913) has the molecular formula C22H20ClN3O3 and a molecular weight of 409.87 g/mol. Its IUPAC name is N-[4-[2-(2-chloro-4-methylphenyl)-2-oxoethyl]phenyl]-4-propanoyl-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(2-chloro-4-methylphenyl)-2-oxoethyl]phenyl]-4-propanoyl-1H-imidazole-5-carboxamide
PubChem CID161261913
Molecular FormulaC22H20ClN3O3
Molecular Weight409.87 g/mol
Exact Mass409.12
IUPAC NameN-[4-[2-(2-chloro-4-methylphenyl)-2-oxoethyl]phenyl]-4-propanoyl-1H-imidazole-5-carboxamide
SMILESCCC(=O)c1nc[nH]c1C(=O)Nc1ccc(CC(=O)c2ccc(C)cc2Cl)cc1
InChIInChI=1S/C22H20ClN3O3/c1-3-18(27)20-21(25-12-24-20)22(29)26-15-7-5-14(6-8-15)11-19(28)16-9-4-13(2)10-17(16)23/h4-10,12H,3,11H2,1-2H3,(H,24,25)(H,26,29)
InChIKeyVCQXGDMDYYIWOW-UHFFFAOYSA-N
XLogP4.64
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.87
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[2-(2-chloro-4-methylphenyl)-2-oxoethyl]phenyl]-4-propanoyl-1H-imidazole-5-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

N-[4-[2-(2-fluoro-4-pyrrolidin-1-ylphenyl)-2-oxoethyl]phenyl]-4-propanoyl-1H-imidazole-5-carboxamide
CID 148771459
4-N-[4-[2-(2-chloro-4-fluorophenyl)-2-oxoethyl]phenyl]-5-N-(2-fluoroethyl)-1H-imidazole-4,5-dicarboxamide
CID 153025754
4-(5-amino-5-methylhexanoyl)-N-[4-[2-(2-chlorophenyl)-2-oxoethyl]phenyl]-1H-imidazole-5-carboxamide
CID 147115197
N-[4-[(2-chlorobenzoyl)amino]-3-methylphenyl]-4-propanoyl-1H-imidazole-5-carboxamide
CID 160550258
1-(2-chloro-4-methylphenyl)-2-(4-methylphenyl)ethanone
CID 106861498
4-(hydrazinecarbonyl)-N-(4-methylphenyl)-1H-imidazole-5-carboxamide
CID 823571
4-N-[4-[2-(2-chloro-4-fluorophenyl)-2-oxoethyl]phenyl]-5-N-(oxan-4-ylmethyl)-1H-imidazole-4,5-dicarboxamide
CID 146997939
4-N-[4-[(2,4-dichlorobenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 118424076
5-N-[4-[(2-chloro-4-methylbenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 118419029
1-(2-chloro-4-methylphenyl)propan-1-one
CID 103689347
tert-butyl 4-[4-[[4-[2-(2-chloro-4-fluorophenyl)-2-oxoethyl]phenyl]carbamoyl]-1H-imidazole-5-carbonyl]piperazine-1-carboxylate
CID 158861986
4-N-[4-[2-(2-chloro-4-fluorophenyl)-2-oxoethyl]phenyl]-5-N-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]-1H-imidazole-4,5-dicarboxamide
CID 159396048

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-chloro-4-methylphenyl)-2-oxoethyl]phenyl]-4-propanoyl-1H-imidazole-5-carboxamide?
The IUPAC name of N-[4-[2-(2-chloro-4-methylphenyl)-2-oxoethyl]phenyl]-4-propanoyl-1H-imidazole-5-carboxamide (CID 161261913) is N-[4-[2-(2-chloro-4-methylphenyl)-2-oxoethyl]phenyl]-4-propanoyl-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[4-[2-(2-chloro-4-methylphenyl)-2-oxoethyl]phenyl]-4-propanoyl-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[4-[2-(2-chloro-4-methylphenyl)-2-oxoethyl]phenyl]-4-propanoyl-1H-imidazole-5-carboxamide is CCC(=O)c1nc[nH]c1C(=O)Nc1ccc(CC(=O)c2ccc(C)cc2Cl)cc1.
What is the InChIKey of N-[4-[2-(2-chloro-4-methylphenyl)-2-oxoethyl]phenyl]-4-propanoyl-1H-imidazole-5-carboxamide?
The InChIKey is VCQXGDMDYYIWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O3/c1-3-18(27)20-21(25-12-24-20)22(29)26-15-7-5-14(6-8-15)11-19(28)16-9-4-13(2)10-17(16)23/h4-10,12H,3,11H2,1-2H3,(H,24,25)(H,26,29).
What are the key properties of N-[4-[2-(2-chloro-4-methylphenyl)-2-oxoethyl]phenyl]-4-propanoyl-1H-imidazole-5-carboxamide?
N-[4-[2-(2-chloro-4-methylphenyl)-2-oxoethyl]phenyl]-4-propanoyl-1H-imidazole-5-carboxamide has a molecular weight of 409.87 g/mol, XLogP of 4.64, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-chloro-4-methylphenyl)-2-oxoethyl]phenyl]-4-propanoyl-1H-imidazole-5-carboxamide is sourced from PubChem (CID 161261913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).