2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-ethyl-N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]imidazole-4-carboxamide

C35H35Cl2N5O — CID 24825767

IUPAC2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-ethyl-N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]imidazole-4-carboxamide
SMILESCCc1c(C(=O)NCCCCNc2c3c(nc4ccccc24)CCCC3)nc(-c2ccccc2Cl)n1-c1ccc(Cl)cc1
InChIInChI=1S/C35H35Cl2N5O/c1-2-31-33(41-34(25-11-3-6-14-28(25)37)42(31)24-19-17-23(36)18-20-24)35(43)39-22-10-9-21-38-32-26-12-4-7-15-29(26)40-30-16-8-5-13-27(30)32/h3-4,6-7,11-12,14-15,17-20H,2,5,8-10,13,16,21-22H2,1H3,(H,38,40)(H,39,43)
InChIKeySTWYWUGMZLRNAY-UHFFFAOYSA-N
MW612.61 g/mol
LogP8.46
Rot. Bonds10

About 2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-ethyl-N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]imidazole-4-carboxamide

2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-ethyl-N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]imidazole-4-carboxamide (PubChem CID 24825767) has the molecular formula C35H35Cl2N5O and a molecular weight of 612.61 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-ethyl-N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-ethyl-N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]imidazole-4-carboxamide
PubChem CID24825767
Molecular FormulaC35H35Cl2N5O
Molecular Weight612.61 g/mol
Exact Mass611.22
IUPAC Name2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-ethyl-N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]imidazole-4-carboxamide
SMILESCCc1c(C(=O)NCCCCNc2c3c(nc4ccccc24)CCCC3)nc(-c2ccccc2Cl)n1-c1ccc(Cl)cc1
InChIInChI=1S/C35H35Cl2N5O/c1-2-31-33(41-34(25-11-3-6-14-28(25)37)42(31)24-19-17-23(36)18-20-24)35(43)39-22-10-9-21-38-32-26-12-4-7-15-29(26)40-30-16-8-5-13-27(30)32/h3-4,6-7,11-12,14-15,17-20H,2,5,8-10,13,16,21-22H2,1H3,(H,38,40)(H,39,43)
InChIKeySTWYWUGMZLRNAY-UHFFFAOYSA-N
XLogP8.46
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.61
LogP ≤ 58.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(4-Chlorophenyl)-2-(2-chlorophenyl)-5-ethyl-N-(piperidin-1-yl)-1H-imidazole-4-carboxamide
CID 10114327
1-(4-Chloro-phenyl)-2-(2,4-dichloro-phenyl)-5-methyl-1H-imidazole-4-carboxylic acid cyclohexylamide
CID 10195347
N-[7-(1,2,3,4-Tetrahydroacridin-9-ylamino)heptyl]-2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-ethyl-1H-imidazole-4-carboxamide
CID 25168166
[1-(4-Chloro-phenyl)-2-(2,4-dichloro-phenyl)-5-methyl-1H-imidazol-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)-methanone
CID 11386417
1-(4-chlorophenyl)-N-[2-(4-chlorophenyl)ethyl]-2-(2,4-dichlorophenyl)-5-methylimidazole-4-carboxamide
CID 44270345
N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-5-methyl-1,2-diphenylimidazole-4-carboxamide;dihydrochloride
CID 54577234
2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-methyl-7-phenylimidazo[4,5-c]quinolin-4-one;hydrochloride
CID 56851483
2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-ethylimidazo[4,5-c]quinolin-4-one;hydrochloride
CID 71451070
2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-methylimidazo[4,5-c]quinolin-4-one;hydrochloride
CID 71460089
1-(4-chlorophenyl)-N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-2,5-dimethylimidazole-4-carboxamide;trihydrochloride
CID 90664459
N-[3-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]propyl]-1-(2-chlorophenyl)-2,5-dimethylimidazole-4-carboxamide;tetrahydrochloride
CID 90664598
N-[3-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]propyl]-1-(4-fluorophenyl)-5-methyl-2-propylimidazole-4-carboxamide;trihydrochloride
CID 90664815

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-ethyl-N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]imidazole-4-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-ethyl-N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]imidazole-4-carboxamide (CID 24825767) is 2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-ethyl-N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]imidazole-4-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-ethyl-N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]imidazole-4-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-ethyl-N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]imidazole-4-carboxamide is CCc1c(C(=O)NCCCCNc2c3c(nc4ccccc24)CCCC3)nc(-c2ccccc2Cl)n1-c1ccc(Cl)cc1.
What is the InChIKey of 2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-ethyl-N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]imidazole-4-carboxamide?
The InChIKey is STWYWUGMZLRNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H35Cl2N5O/c1-2-31-33(41-34(25-11-3-6-14-28(25)37)42(31)24-19-17-23(36)18-20-24)35(43)39-22-10-9-21-38-32-26-12-4-7-15-29(26)40-30-16-8-5-13-27(30)32/h3-4,6-7,11-12,14-15,17-20H,2,5,8-10,13,16,21-22H2,1H3,(H,38,40)(H,39,43).
What are the key properties of 2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-ethyl-N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]imidazole-4-carboxamide?
2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-ethyl-N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]imidazole-4-carboxamide has a molecular weight of 612.61 g/mol, XLogP of 8.46, 10 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-ethyl-N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]imidazole-4-carboxamide is sourced from PubChem (CID 24825767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).