2-(2,4-dichlorophenyl)-1-(4-methylphenyl)-N-morpholin-4-yl-5-(pyrrolidin-1-ylmethyl)imidazole-4-carboxamide

C26H29Cl2N5O2 — CID 91349772

IUPAC2-(2,4-dichlorophenyl)-1-(4-methylphenyl)-N-morpholin-4-yl-5-(pyrrolidin-1-ylmethyl)imidazole-4-carboxamide
SMILESCc1ccc(-n2c(-c3ccc(Cl)cc3Cl)nc(C(=O)NN3CCOCC3)c2CN2CCCC2)cc1
InChIInChI=1S/C26H29Cl2N5O2/c1-18-4-7-20(8-5-18)33-23(17-31-10-2-3-11-31)24(26(34)30-32-12-14-35-15-13-32)29-25(33)21-9-6-19(27)16-22(21)28/h4-9,16H,2-3,10-15,17H2,1H3,(H,30,34)
InChIKeyMKAJGHVDIQVDIX-UHFFFAOYSA-N
MW514.46 g/mol
LogP4.73
Rot. Bonds6

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

2-(2,4-dichlorophenyl)-1-(4-methylphenyl)-N-morpholin-4-yl-5-(pyrrolidin-1-ylmethyl)imidazole-4-carboxamide (PubChem CID 91349772) has the molecular formula C26H29Cl2N5O2 and a molecular weight of 514.46 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-1-(4-methylphenyl)-N-morpholin-4-yl-5-(pyrrolidin-1-ylmethyl)imidazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-1-(4-methylphenyl)-N-morpholin-4-yl-5-(pyrrolidin-1-ylmethyl)imidazole-4-carboxamide
PubChem CID91349772
Molecular FormulaC26H29Cl2N5O2
Molecular Weight514.46 g/mol
Exact Mass513.17
IUPAC Name2-(2,4-dichlorophenyl)-1-(4-methylphenyl)-N-morpholin-4-yl-5-(pyrrolidin-1-ylmethyl)imidazole-4-carboxamide
SMILESCc1ccc(-n2c(-c3ccc(Cl)cc3Cl)nc(C(=O)NN3CCOCC3)c2CN2CCCC2)cc1
InChIInChI=1S/C26H29Cl2N5O2/c1-18-4-7-20(8-5-18)33-23(17-31-10-2-3-11-31)24(26(34)30-32-12-14-35-15-13-32)29-25(33)21-9-6-19(27)16-22(21)28/h4-9,16H,2-3,10-15,17H2,1H3,(H,30,34)
InChIKeyMKAJGHVDIQVDIX-UHFFFAOYSA-N
XLogP4.73
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.46
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-yl-5-(pyrrolidin-1-ylmethyl)imidazole-4-carboxamide
CID 24759220
2-(2,4-dichlorophenyl)-1-[4-(hydroxymethyl)phenyl]-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide
CID 67478464
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
1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylsulfinyl-N-piperidin-1-ylimidazole-4-carboxamide
CID 23654364
1-(4-chlorophenyl)-5-cyano-2-(2,4-dichlorophenyl)-N-piperidin-1-ylimidazole-4-carboxamide
CID 11190694
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
4-[4-[2-(2,4-dichlorophenyl)-5-methoxy-4-(morpholin-4-ylcarbamoyl)imidazol-1-yl]phenyl]but-3-ynyl nitrate
CID 121249361
2-(2,4-dichlorophenyl)-1,5-dimethyl-N-piperidin-1-ylimidazole-4-carboxamide
CID 10309178
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 2-(2,4-dichlorophenyl)-1-(4-methylphenyl)-N-morpholin-4-yl-5-(pyrrolidin-1-ylmethyl)imidazole-4-carboxamide?
The IUPAC name of 2-(2,4-dichlorophenyl)-1-(4-methylphenyl)-N-morpholin-4-yl-5-(pyrrolidin-1-ylmethyl)imidazole-4-carboxamide (CID 91349772) is 2-(2,4-dichlorophenyl)-1-(4-methylphenyl)-N-morpholin-4-yl-5-(pyrrolidin-1-ylmethyl)imidazole-4-carboxamide.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-1-(4-methylphenyl)-N-morpholin-4-yl-5-(pyrrolidin-1-ylmethyl)imidazole-4-carboxamide?
The canonical SMILES for 2-(2,4-dichlorophenyl)-1-(4-methylphenyl)-N-morpholin-4-yl-5-(pyrrolidin-1-ylmethyl)imidazole-4-carboxamide is Cc1ccc(-n2c(-c3ccc(Cl)cc3Cl)nc(C(=O)NN3CCOCC3)c2CN2CCCC2)cc1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-1-(4-methylphenyl)-N-morpholin-4-yl-5-(pyrrolidin-1-ylmethyl)imidazole-4-carboxamide?
The InChIKey is MKAJGHVDIQVDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29Cl2N5O2/c1-18-4-7-20(8-5-18)33-23(17-31-10-2-3-11-31)24(26(34)30-32-12-14-35-15-13-32)29-25(33)21-9-6-19(27)16-22(21)28/h4-9,16H,2-3,10-15,17H2,1H3,(H,30,34).
What are the key properties of 2-(2,4-dichlorophenyl)-1-(4-methylphenyl)-N-morpholin-4-yl-5-(pyrrolidin-1-ylmethyl)imidazole-4-carboxamide?
2-(2,4-dichlorophenyl)-1-(4-methylphenyl)-N-morpholin-4-yl-5-(pyrrolidin-1-ylmethyl)imidazole-4-carboxamide has a molecular weight of 514.46 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-1-(4-methylphenyl)-N-morpholin-4-yl-5-(pyrrolidin-1-ylmethyl)imidazole-4-carboxamide is sourced from PubChem (CID 91349772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).