4-[1-[[3-[2-(4-chlorophenyl)ethyl]-2,5-dimethylimidazole-4-carbonyl]amino]ethyl]benzoic acid

C23H24ClN3O3 — CID 175276049

IUPAC4-[1-[[3-[2-(4-chlorophenyl)ethyl]-2,5-dimethylimidazole-4-carbonyl]amino]ethyl]benzoic acid
SMILESCc1nc(C)n(CCc2ccc(Cl)cc2)c1C(=O)NC(C)c1ccc(C(=O)O)cc1
InChIInChI=1S/C23H24ClN3O3/c1-14(18-6-8-19(9-7-18)23(29)30)26-22(28)21-15(2)25-16(3)27(21)13-12-17-4-10-20(24)11-5-17/h4-11,14H,12-13H2,1-3H3,(H,26,28)(H,29,30)
InChIKeyULPKIGZMMGKTPX-UHFFFAOYSA-N
MW425.92 g/mol
LogP4.59
Rot. Bonds7

About 4-[1-[[3-[2-(4-chlorophenyl)ethyl]-2,5-dimethylimidazole-4-carbonyl]amino]ethyl]benzoic acid

4-[1-[[3-[2-(4-chlorophenyl)ethyl]-2,5-dimethylimidazole-4-carbonyl]amino]ethyl]benzoic acid (PubChem CID 175276049) has the molecular formula C23H24ClN3O3 and a molecular weight of 425.92 g/mol. Its IUPAC name is 4-[1-[[3-[2-(4-chlorophenyl)ethyl]-2,5-dimethylimidazole-4-carbonyl]amino]ethyl]benzoic acid.

Molecular Properties

Compound Name4-[1-[[3-[2-(4-chlorophenyl)ethyl]-2,5-dimethylimidazole-4-carbonyl]amino]ethyl]benzoic acid
PubChem CID175276049
Molecular FormulaC23H24ClN3O3
Molecular Weight425.92 g/mol
Exact Mass425.15
IUPAC Name4-[1-[[3-[2-(4-chlorophenyl)ethyl]-2,5-dimethylimidazole-4-carbonyl]amino]ethyl]benzoic acid
SMILESCc1nc(C)n(CCc2ccc(Cl)cc2)c1C(=O)NC(C)c1ccc(C(=O)O)cc1
InChIInChI=1S/C23H24ClN3O3/c1-14(18-6-8-19(9-7-18)23(29)30)26-22(28)21-15(2)25-16(3)27(21)13-12-17-4-10-20(24)11-5-17/h4-11,14H,12-13H2,1-3H3,(H,26,28)(H,29,30)
InChIKeyULPKIGZMMGKTPX-UHFFFAOYSA-N
XLogP4.59
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.92
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[1-[[3-[2-(4-chlorophenyl)ethyl]-2,5-dimethylimidazole-4-carbonyl]amino]ethyl]benzoic acid with MolForge

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Related Compounds

4-[1-[[3-(4-chlorophenyl)-2-methyl-5-(trifluoromethyl)imidazole-4-carbonyl]amino]ethyl]benzoic acid
CID 175276056
4-[(1S)-1-[[3-(4-fluorophenyl)-2,5-dimethylimidazole-4-carbonyl]amino]ethyl]benzoic acid
CID 175276070
4-[(1S)-1-[[1-[(4-chlorophenyl)methyl]indazole-7-carbonyl]amino]ethyl]benzoic acid
CID 58125332
4-[(1S)-1-[[2,5-dimethyl-3-[4-(trifluoromethyl)phenyl]imidazole-4-carbonyl]amino]ethyl]benzoic acid
CID 175276062
(4-chlorophenyl)methanol;4-[1-(3-methylbutanoylamino)ethyl]benzoic acid
CID 156722088
N-[(1R)-1-(4-chlorophenyl)ethyl]-2,4-dimethylpyrimidine-5-carboxamide
CID 92648544
4-[(1S)-1-[[6-[(4-chlorophenyl)methyl]-2-methylpyrazolo[3,4-e]indazole-5-carbonyl]amino]ethyl]benzoic acid
CID 176771143
4-[(1S)-1-[[1-[(4-chlorophenyl)methyl]-5-methoxyindole-7-carbonyl]amino]ethyl]benzoic acid
CID 58306877
4-[1-[[5-chloro-1-[(4-chlorophenyl)methyl]-2,3-dihydroindole-7-carbonyl]amino]ethyl]benzoic acid
CID 70903620
N-[(1S)-1-(4-chlorophenyl)ethyl]-4-(methoxymethyl)benzamide
CID 8623654
[(1S)-1-(4-chlorophenyl)ethyl]carbamic acid
CID 155021809
2-[1-(4-chlorophenyl)ethylcarbamoyl]benzoic acid
CID 43399735

Frequently Asked Questions

What is the IUPAC name of 4-[1-[[3-[2-(4-chlorophenyl)ethyl]-2,5-dimethylimidazole-4-carbonyl]amino]ethyl]benzoic acid?
The IUPAC name of 4-[1-[[3-[2-(4-chlorophenyl)ethyl]-2,5-dimethylimidazole-4-carbonyl]amino]ethyl]benzoic acid (CID 175276049) is 4-[1-[[3-[2-(4-chlorophenyl)ethyl]-2,5-dimethylimidazole-4-carbonyl]amino]ethyl]benzoic acid.
What is the SMILES notation for 4-[1-[[3-[2-(4-chlorophenyl)ethyl]-2,5-dimethylimidazole-4-carbonyl]amino]ethyl]benzoic acid?
The canonical SMILES for 4-[1-[[3-[2-(4-chlorophenyl)ethyl]-2,5-dimethylimidazole-4-carbonyl]amino]ethyl]benzoic acid is Cc1nc(C)n(CCc2ccc(Cl)cc2)c1C(=O)NC(C)c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[1-[[3-[2-(4-chlorophenyl)ethyl]-2,5-dimethylimidazole-4-carbonyl]amino]ethyl]benzoic acid?
The InChIKey is ULPKIGZMMGKTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O3/c1-14(18-6-8-19(9-7-18)23(29)30)26-22(28)21-15(2)25-16(3)27(21)13-12-17-4-10-20(24)11-5-17/h4-11,14H,12-13H2,1-3H3,(H,26,28)(H,29,30).
What are the key properties of 4-[1-[[3-[2-(4-chlorophenyl)ethyl]-2,5-dimethylimidazole-4-carbonyl]amino]ethyl]benzoic acid?
4-[1-[[3-[2-(4-chlorophenyl)ethyl]-2,5-dimethylimidazole-4-carbonyl]amino]ethyl]benzoic acid has a molecular weight of 425.92 g/mol, XLogP of 4.59, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[3-[2-(4-chlorophenyl)ethyl]-2,5-dimethylimidazole-4-carbonyl]amino]ethyl]benzoic acid is sourced from PubChem (CID 175276049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).