2-(2,4-dichlorophenyl)-5-methyl-N-piperidin-1-yl-1-[4-(3,3,3-trifluoropropoxy)phenyl]imidazole-4-carboxamide

C25H25Cl2F3N4O2 — CID 57432768

IUPAC2-(2,4-dichlorophenyl)-5-methyl-N-piperidin-1-yl-1-[4-(3,3,3-trifluoropropoxy)phenyl]imidazole-4-carboxamide
SMILESCc1c(C(=O)NN2CCCCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(OCCC(F)(F)F)cc1
InChIInChI=1S/C25H25Cl2F3N4O2/c1-16-22(24(35)32-33-12-3-2-4-13-33)31-23(20-10-5-17(26)15-21(20)27)34(16)18-6-8-19(9-7-18)36-14-11-25(28,29)30/h5-10,15H,2-4,11-14H2,1H3,(H,32,35)
InChIKeyTZMYHVSAIPQPEI-UHFFFAOYSA-N
MW541.40 g/mol
LogP6.62
Rot. Bonds7

About 2-(2,4-dichlorophenyl)-5-methyl-N-piperidin-1-yl-1-[4-(3,3,3-trifluoropropoxy)phenyl]imidazole-4-carboxamide

2-(2,4-dichlorophenyl)-5-methyl-N-piperidin-1-yl-1-[4-(3,3,3-trifluoropropoxy)phenyl]imidazole-4-carboxamide (PubChem CID 57432768) has the molecular formula C25H25Cl2F3N4O2 and a molecular weight of 541.40 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-5-methyl-N-piperidin-1-yl-1-[4-(3,3,3-trifluoropropoxy)phenyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-5-methyl-N-piperidin-1-yl-1-[4-(3,3,3-trifluoropropoxy)phenyl]imidazole-4-carboxamide
PubChem CID57432768
Molecular FormulaC25H25Cl2F3N4O2
Molecular Weight541.40 g/mol
Exact Mass540.13
IUPAC Name2-(2,4-dichlorophenyl)-5-methyl-N-piperidin-1-yl-1-[4-(3,3,3-trifluoropropoxy)phenyl]imidazole-4-carboxamide
SMILESCc1c(C(=O)NN2CCCCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(OCCC(F)(F)F)cc1
InChIInChI=1S/C25H25Cl2F3N4O2/c1-16-22(24(35)32-33-12-3-2-4-13-33)31-23(20-10-5-17(26)15-21(20)27)34(16)18-6-8-19(9-7-18)36-14-11-25(28,29)30/h5-10,15H,2-4,11-14H2,1H3,(H,32,35)
InChIKeyTZMYHVSAIPQPEI-UHFFFAOYSA-N
XLogP6.62
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.40
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-Dichlorophenyl)-5-methyl-1-[4-(4,4,4-trifluorobutoxy)-phenyl]-1H-imidazole-4-carboxylic acid piperidin-1-ylamide
CID 11526889
1-Propanesulfonic acid, 3,3,3-trifluoro-, 4-(2-(2,4-dichlorophenyl)-5-methyl-4-((1-piperidinylamino)carbonyl)-1H-imidazol-1-yl)phenyl ester
CID 11548933
4-{2-(2,4-dichlorophenyl)-5-methyl-4-[(piperidin-1-ylamino)carbonyl]-1H-imidazol-1-yl}phenyl 3,3-dimethylbutane-1-sulfonate
CID 11606800
4,4,4-Trifluorobutane-1-sulfonic acid 4-[2-(2,4-dichlorophenyl)-5-methyl-4-(piperidin-1-ylcarbamoyl)imidazol-1-yl]-phenyl ester
CID 11664479
Propane-1-sulfonic acid 4-[2-(2,4-dichlorophenyl)-5-methyl-4-(piperidin-1-ylcarbamoyl)-imidazol-1-yl]phenyl ester
CID 11685395
4-{2-(2,4-dichlorophenyl)-5-methyl-4-[(piperidin-1-ylamino)carbonyl]-1H-imidazol-1-yl}phenyl 3-methylbutane-1-sulfonate
CID 11699838
Butane-1-sulfonic acid 4-[2-(2,4-dichlorophenyl)-5-methyl-4-(piperidin-1-ylcarbamoyl)-imidazol-1-yl]phenyl ester
CID 11706783
4-{2-(2,4-dichlorophenyl)-5-methyl-4-[(piperidin-1-ylamino)carbonyl]-1H-imidazol-1-yl}phenyl 3-fluoropropane-1-sulfonate
CID 16661501
4-[2-(2,4-dichlorophenyl)-5-methyl-4-({[4-(trifluoromethoxy)phenyl]amino}carbonyl)-1H-imidazol-1-yl]phenyl 3,3,3-trifluoropropane-1-sulfonate
CID 16661502
3,3,3-Trifluoropropane-1-sulfonic acid 4-[2-(2,4-dichloro-phenyl)-4-(3-hydroxy-piperidin-1-ylcarbamoyl)-5-methyl-imidazol-1-yl]-phenyl ester
CID 16661654
2-(2,4-dichlorophenyl)-1-[4-(3-fluoropropoxy)phenyl]-5-methyl-N-piperidin-1-yl-1H-imidazole-4-carboxamide
CID 16661819
2-(2,4-Dichloro-phenyl)-1-(4-methoxy-phenyl)-5-methyl-1H-imidazole-4-carboxylic acid piperidin-1-ylamide
CID 11213299

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-5-methyl-N-piperidin-1-yl-1-[4-(3,3,3-trifluoropropoxy)phenyl]imidazole-4-carboxamide?
The IUPAC name of 2-(2,4-dichlorophenyl)-5-methyl-N-piperidin-1-yl-1-[4-(3,3,3-trifluoropropoxy)phenyl]imidazole-4-carboxamide (CID 57432768) is 2-(2,4-dichlorophenyl)-5-methyl-N-piperidin-1-yl-1-[4-(3,3,3-trifluoropropoxy)phenyl]imidazole-4-carboxamide.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-5-methyl-N-piperidin-1-yl-1-[4-(3,3,3-trifluoropropoxy)phenyl]imidazole-4-carboxamide?
The canonical SMILES for 2-(2,4-dichlorophenyl)-5-methyl-N-piperidin-1-yl-1-[4-(3,3,3-trifluoropropoxy)phenyl]imidazole-4-carboxamide is Cc1c(C(=O)NN2CCCCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(OCCC(F)(F)F)cc1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-5-methyl-N-piperidin-1-yl-1-[4-(3,3,3-trifluoropropoxy)phenyl]imidazole-4-carboxamide?
The InChIKey is TZMYHVSAIPQPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25Cl2F3N4O2/c1-16-22(24(35)32-33-12-3-2-4-13-33)31-23(20-10-5-17(26)15-21(20)27)34(16)18-6-8-19(9-7-18)36-14-11-25(28,29)30/h5-10,15H,2-4,11-14H2,1H3,(H,32,35).
What are the key properties of 2-(2,4-dichlorophenyl)-5-methyl-N-piperidin-1-yl-1-[4-(3,3,3-trifluoropropoxy)phenyl]imidazole-4-carboxamide?
2-(2,4-dichlorophenyl)-5-methyl-N-piperidin-1-yl-1-[4-(3,3,3-trifluoropropoxy)phenyl]imidazole-4-carboxamide has a molecular weight of 541.40 g/mol, XLogP of 6.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-5-methyl-N-piperidin-1-yl-1-[4-(3,3,3-trifluoropropoxy)phenyl]imidazole-4-carboxamide is sourced from PubChem (CID 57432768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).