2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-ethylimidazole-4-carboxylic acid;piperidin-1-amine

C23H26Cl2N4O2 — CID 172783819

IUPAC2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-ethylimidazole-4-carboxylic acid;piperidin-1-amine
SMILESCCc1c(C(=O)O)nc(-c2ccccc2Cl)n1-c1ccc(Cl)cc1.NN1CCCCC1
InChIInChI=1S/C18H14Cl2N2O2.C5H12N2/c1-2-15-16(18(23)24)21-17(13-5-3-4-6-14(13)20)22(15)12-9-7-11(19)8-10-12;6-7-4-2-1-3-5-7/h3-10H,2H2,1H3,(H,23,24);1-6H2
InChIKeyOPPOVSMWZDJTIL-UHFFFAOYSA-N
MW461.39 g/mol
LogP5.45
Rot. Bonds4

About 2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-ethylimidazole-4-carboxylic acid;piperidin-1-amine

2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-ethylimidazole-4-carboxylic acid;piperidin-1-amine (PubChem CID 172783819) has the molecular formula C23H26Cl2N4O2 and a molecular weight of 461.39 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-ethylimidazole-4-carboxylic acid;piperidin-1-amine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-ethylimidazole-4-carboxylic acid;piperidin-1-amine
PubChem CID172783819
Molecular FormulaC23H26Cl2N4O2
Molecular Weight461.39 g/mol
Exact Mass460.14
IUPAC Name2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-ethylimidazole-4-carboxylic acid;piperidin-1-amine
SMILESCCc1c(C(=O)O)nc(-c2ccccc2Cl)n1-c1ccc(Cl)cc1.NN1CCCCC1
InChIInChI=1S/C18H14Cl2N2O2.C5H12N2/c1-2-15-16(18(23)24)21-17(13-5-3-4-6-14(13)20)22(15)12-9-7-11(19)8-10-12;6-7-4-2-1-3-5-7/h3-10H,2H2,1H3,(H,23,24);1-6H2
InChIKeyOPPOVSMWZDJTIL-UHFFFAOYSA-N
XLogP5.45
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.39
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Related Compounds

2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-ethylimidazole-4-carboxylic acid;piperidine-1-carboxamide
CID 161181256
[2-(2-chlorophenyl)-5-ethyl-1-(4-propan-2-ylphenyl)imidazol-4-yl]-piperidin-1-ylmethanone
CID 174473520
1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazole-4-carboxylic acid;piperidine-1-carboxamide
CID 159297926
1-(4-chlorophenyl)-5-ethyl-2-(3-methyl-2-pyridinyl)imidazole-4-carboxylic acid
CID 69042065
ethyl 2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-(diazenylmethyl)imidazole-4-carboxylate
CID 91173919
2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-methylsulfanyl-N-piperidin-1-ylimidazole-4-carboxamide
CID 24748218
2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-ethyl-N-[7-(1,2,3,4-tetrahydroacridin-9-ylamino)heptyl]imidazole-4-carboxamide
CID 25168166
N-butyl-2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-[(propan-2-ylamino)methyl]imidazole-4-carboxamide
CID 142992071
1-(4-bromophenyl)-2-(2-chlorophenyl)-N-[2-chloro-4-(trifluoromethyl)phenyl]-5-ethylimidazole-4-carbohydrazide
CID 174460680
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-propylimidazol-4-yl]-[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]methanone
CID 22285619
1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-yl-5-(pyrrolidin-1-ylmethyl)imidazole-4-carboxamide
CID 24759220

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-ethylimidazole-4-carboxylic acid;piperidin-1-amine?
The IUPAC name of 2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-ethylimidazole-4-carboxylic acid;piperidin-1-amine (CID 172783819) is 2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-ethylimidazole-4-carboxylic acid;piperidin-1-amine.
What is the SMILES notation for 2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-ethylimidazole-4-carboxylic acid;piperidin-1-amine?
The canonical SMILES for 2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-ethylimidazole-4-carboxylic acid;piperidin-1-amine is CCc1c(C(=O)O)nc(-c2ccccc2Cl)n1-c1ccc(Cl)cc1.NN1CCCCC1.
What is the InChIKey of 2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-ethylimidazole-4-carboxylic acid;piperidin-1-amine?
The InChIKey is OPPOVSMWZDJTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O2.C5H12N2/c1-2-15-16(18(23)24)21-17(13-5-3-4-6-14(13)20)22(15)12-9-7-11(19)8-10-12;6-7-4-2-1-3-5-7/h3-10H,2H2,1H3,(H,23,24);1-6H2.
What are the key properties of 2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-ethylimidazole-4-carboxylic acid;piperidin-1-amine?
2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-ethylimidazole-4-carboxylic acid;piperidin-1-amine has a molecular weight of 461.39 g/mol, XLogP of 5.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-ethylimidazole-4-carboxylic acid;piperidin-1-amine is sourced from PubChem (CID 172783819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).