1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-yl-5-(pyrrolidin-1-ylmethyl)imidazole-4-carboxamide

C26H28Cl3N5O — CID 24759220

IUPAC1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-yl-5-(pyrrolidin-1-ylmethyl)imidazole-4-carboxamide
SMILESO=C(NN1CCCCC1)c1nc(-c2ccc(Cl)cc2Cl)n(-c2ccc(Cl)cc2)c1CN1CCCC1
InChIInChI=1S/C26H28Cl3N5O/c27-18-6-9-20(10-7-18)34-23(17-32-12-4-5-13-32)24(26(35)31-33-14-2-1-3-15-33)30-25(34)21-11-8-19(28)16-22(21)29/h6-11,16H,1-5,12-15,17H2,(H,31,35)
InChIKeyMERBVQYBDBPIEN-UHFFFAOYSA-N
MW532.90 g/mol
LogP6.23
Rot. Bonds6

About 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-yl-5-(pyrrolidin-1-ylmethyl)imidazole-4-carboxamide

1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-yl-5-(pyrrolidin-1-ylmethyl)imidazole-4-carboxamide (PubChem CID 24759220) has the molecular formula C26H28Cl3N5O and a molecular weight of 532.90 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-yl-5-(pyrrolidin-1-ylmethyl)imidazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-yl-5-(pyrrolidin-1-ylmethyl)imidazole-4-carboxamide
PubChem CID24759220
Molecular FormulaC26H28Cl3N5O
Molecular Weight532.90 g/mol
Exact Mass531.14
IUPAC Name1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-yl-5-(pyrrolidin-1-ylmethyl)imidazole-4-carboxamide
SMILESO=C(NN1CCCCC1)c1nc(-c2ccc(Cl)cc2Cl)n(-c2ccc(Cl)cc2)c1CN1CCCC1
InChIInChI=1S/C26H28Cl3N5O/c27-18-6-9-20(10-7-18)34-23(17-32-12-4-5-13-32)24(26(35)31-33-14-2-1-3-15-33)30-25(34)21-11-8-19(28)16-22(21)29/h6-11,16H,1-5,12-15,17H2,(H,31,35)
InChIKeyMERBVQYBDBPIEN-UHFFFAOYSA-N
XLogP6.23
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.90
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-dichlorophenyl)-1-(4-methylphenyl)-N-morpholin-4-yl-5-(pyrrolidin-1-ylmethyl)imidazole-4-carboxamide
CID 91349772
1-(4-chlorophenyl)-5-cyano-2-(2,4-dichlorophenyl)-N-piperidin-1-ylimidazole-4-carboxamide
CID 11190694
2-(2,4-dichlorophenyl)-1-[4-(hydroxymethyl)phenyl]-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide
CID 67478464
1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylsulfinyl-N-piperidin-1-ylimidazole-4-carboxamide
CID 23654364
1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide
CID 11375615
2-(2,4-dichlorophenyl)-1-(4-methoxyphenyl)-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide
CID 11213299
2-(2,4-dichlorophenyl)-1-[4-(3-hydroxyprop-1-ynyl)phenyl]-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide
CID 59232528
2-(2,4-dichlorophenyl)-1,5-dimethyl-N-piperidin-1-ylimidazole-4-carboxamide
CID 10309178
1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-ethyl-N-piperidin-1-ylimidazole-4-carboxamide;2-(2,4-dichlorophenyl)-5-methyl-N-piperidin-1-yl-1-pyridin-2-ylimidazole-4-carboxamide
CID 87794194
2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-methylsulfanyl-N-piperidin-1-ylimidazole-4-carboxamide
CID 24748218
2-(2,4-dichlorophenyl)-5-methyl-N-piperidin-1-yl-1-pyridin-2-ylimidazole-4-carboxamide
CID 23654363
[4-[2-(2,4-dichlorophenyl)-5-methyl-4-(piperidin-1-ylcarbamoyl)imidazol-1-yl]phenyl] propane-1-sulfonate;ethane-1,2-disulfonic acid
CID 16667023

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-yl-5-(pyrrolidin-1-ylmethyl)imidazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-yl-5-(pyrrolidin-1-ylmethyl)imidazole-4-carboxamide (CID 24759220) is 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-yl-5-(pyrrolidin-1-ylmethyl)imidazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-yl-5-(pyrrolidin-1-ylmethyl)imidazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-yl-5-(pyrrolidin-1-ylmethyl)imidazole-4-carboxamide is O=C(NN1CCCCC1)c1nc(-c2ccc(Cl)cc2Cl)n(-c2ccc(Cl)cc2)c1CN1CCCC1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-yl-5-(pyrrolidin-1-ylmethyl)imidazole-4-carboxamide?
The InChIKey is MERBVQYBDBPIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28Cl3N5O/c27-18-6-9-20(10-7-18)34-23(17-32-12-4-5-13-32)24(26(35)31-33-14-2-1-3-15-33)30-25(34)21-11-8-19(28)16-22(21)29/h6-11,16H,1-5,12-15,17H2,(H,31,35).
What are the key properties of 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-yl-5-(pyrrolidin-1-ylmethyl)imidazole-4-carboxamide?
1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-yl-5-(pyrrolidin-1-ylmethyl)imidazole-4-carboxamide has a molecular weight of 532.90 g/mol, XLogP of 6.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-yl-5-(pyrrolidin-1-ylmethyl)imidazole-4-carboxamide is sourced from PubChem (CID 24759220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).