N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-(4-fluorophenyl)imidazole-4-carboxamide

C22H21ClFN5O2 — CID 56504294

IUPACN-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-(4-fluorophenyl)imidazole-4-carboxamide
SMILESO=C(NCC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1cncn1-c1ccc(F)cc1
InChIInChI=1S/C22H21ClFN5O2/c23-16-2-1-3-19(12-16)27-8-10-28(11-9-27)21(30)14-26-22(31)20-13-25-15-29(20)18-6-4-17(24)5-7-18/h1-7,12-13,15H,8-11,14H2,(H,26,31)
InChIKeyALAHMTFRFNGCKF-UHFFFAOYSA-N
MW441.89 g/mol
LogP2.74
Rot. Bonds5

About N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-(4-fluorophenyl)imidazole-4-carboxamide

N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-(4-fluorophenyl)imidazole-4-carboxamide (PubChem CID 56504294) has the molecular formula C22H21ClFN5O2 and a molecular weight of 441.89 g/mol. Its IUPAC name is N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-(4-fluorophenyl)imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-(4-fluorophenyl)imidazole-4-carboxamide
PubChem CID56504294
Molecular FormulaC22H21ClFN5O2
Molecular Weight441.89 g/mol
Exact Mass441.14
IUPAC NameN-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-(4-fluorophenyl)imidazole-4-carboxamide
SMILESO=C(NCC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1cncn1-c1ccc(F)cc1
InChIInChI=1S/C22H21ClFN5O2/c23-16-2-1-3-19(12-16)27-8-10-28(11-9-27)21(30)14-26-22(31)20-13-25-15-29(20)18-6-4-17(24)5-7-18/h1-7,12-13,15H,8-11,14H2,(H,26,31)
InChIKeyALAHMTFRFNGCKF-UHFFFAOYSA-N
XLogP2.74
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.89
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-(4-fluorophenyl)acetamide
CID 112994503
[4-(3-chlorophenyl)piperazin-1-yl]-(3-phenylimidazol-4-yl)methanone
CID 17471508
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-(4-fluorophenyl)furan-2-carboxamide
CID 56502503
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methylpropanamide
CID 51108233
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2,4-difluoroanilino)ethanone
CID 109004385
4-fluoro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 9081763
2-[1-(3-chlorophenyl)ethylamino]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 112769455
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 17193886
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methylbutanamide
CID 112994499
2-(aminomethyl)-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119874778
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 56503276
[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]urea
CID 9081569

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-(4-fluorophenyl)imidazole-4-carboxamide?
The IUPAC name of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-(4-fluorophenyl)imidazole-4-carboxamide (CID 56504294) is N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-(4-fluorophenyl)imidazole-4-carboxamide.
What is the SMILES notation for N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-(4-fluorophenyl)imidazole-4-carboxamide?
The canonical SMILES for N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-(4-fluorophenyl)imidazole-4-carboxamide is O=C(NCC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1cncn1-c1ccc(F)cc1.
What is the InChIKey of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-(4-fluorophenyl)imidazole-4-carboxamide?
The InChIKey is ALAHMTFRFNGCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClFN5O2/c23-16-2-1-3-19(12-16)27-8-10-28(11-9-27)21(30)14-26-22(31)20-13-25-15-29(20)18-6-4-17(24)5-7-18/h1-7,12-13,15H,8-11,14H2,(H,26,31).
What are the key properties of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-(4-fluorophenyl)imidazole-4-carboxamide?
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-(4-fluorophenyl)imidazole-4-carboxamide has a molecular weight of 441.89 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-(4-fluorophenyl)imidazole-4-carboxamide is sourced from PubChem (CID 56504294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).