1-[1-[2-[3-(4-chlorophenyl)propoxy]phenyl]-4-hydroxypentan-3-yl]imidazole-4-carboxamide

C24H28ClN3O3 — CID 10275108

IUPAC1-[1-[2-[3-(4-chlorophenyl)propoxy]phenyl]-4-hydroxypentan-3-yl]imidazole-4-carboxamide
SMILESCC(O)C(CCc1ccccc1OCCCc1ccc(Cl)cc1)n1cnc(C(N)=O)c1
InChIInChI=1S/C24H28ClN3O3/c1-17(29)22(28-15-21(24(26)30)27-16-28)13-10-19-6-2-3-7-23(19)31-14-4-5-18-8-11-20(25)12-9-18/h2-3,6-9,11-12,15-17,22,29H,4-5,10,13-14H2,1H3,(H2,26,30)
InChIKeyAZNCRYWMUBHUEI-UHFFFAOYSA-N
MW441.96 g/mol
LogP4.20
Rot. Bonds11

About 1-[1-[2-[3-(4-chlorophenyl)propoxy]phenyl]-4-hydroxypentan-3-yl]imidazole-4-carboxamide

1-[1-[2-[3-(4-chlorophenyl)propoxy]phenyl]-4-hydroxypentan-3-yl]imidazole-4-carboxamide (PubChem CID 10275108) has the molecular formula C24H28ClN3O3 and a molecular weight of 441.96 g/mol. Its IUPAC name is 1-[1-[2-[3-(4-chlorophenyl)propoxy]phenyl]-4-hydroxypentan-3-yl]imidazole-4-carboxamide.

Molecular Properties

Compound Name1-[1-[2-[3-(4-chlorophenyl)propoxy]phenyl]-4-hydroxypentan-3-yl]imidazole-4-carboxamide
PubChem CID10275108
Molecular FormulaC24H28ClN3O3
Molecular Weight441.96 g/mol
Exact Mass441.18
IUPAC Name1-[1-[2-[3-(4-chlorophenyl)propoxy]phenyl]-4-hydroxypentan-3-yl]imidazole-4-carboxamide
SMILESCC(O)C(CCc1ccccc1OCCCc1ccc(Cl)cc1)n1cnc(C(N)=O)c1
InChIInChI=1S/C24H28ClN3O3/c1-17(29)22(28-15-21(24(26)30)27-16-28)13-10-19-6-2-3-7-23(19)31-14-4-5-18-8-11-20(25)12-9-18/h2-3,6-9,11-12,15-17,22,29H,4-5,10,13-14H2,1H3,(H2,26,30)
InChIKeyAZNCRYWMUBHUEI-UHFFFAOYSA-N
XLogP4.20
TPSA90.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.96
LogP ≤ 54.20
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-((1R,2S)-2-Hydroxy-1-(2-(2-naphthyloxy)ethyl)propyl)-1H-imidazone-4-carboxamide
CID 449015
1-[(2R)-4-{5-[3-(4-chlorophenyl)propoxy]-1-methyl-1H-indol-3-yl}-1-hydroxybutan-2-yl]-1H-imidazole-4-carboxamide
CID 10480325
2-[(5-Chloro-2-phenylmethoxyphenyl)methyl]-1-methylimidazole-4-carboxylic acid;hydrochloride
CID 45263719
2-[(5-Chloro-2-phenylmethoxyphenyl)methyl]-3-methylimidazole-4-carboxylic acid;hydrochloride
CID 45265995
1-[(3R,4S)-4-hydroxy-1-naphthalen-2-yloxypentan-3-yl]imidazole-4-carboxamide;hydrochloride
CID 45261072
1-[4-[5-[3-(4-Chlorophenyl)propoxy]-1-methylindol-3-yl]-1-hydroxybutan-2-yl]imidazole-4-carboxamide
CID 85154550
1-(5'-chloro-2'-methoxy[1,1'-biphenyl]-3-yl)-N-(heptan-4-yl)-1H-imidazole-5-carboxamide
CID 46102860
1-[1-(4-Fluoro-2-hydroxyphenyl)-4-hydroxypentan-3-yl]imidazole-4-carboxamide
CID 9901173
1-[4-Hydroxy-1-[2-(2,2,2-trifluoroethoxy)phenyl]pentan-3-yl]imidazole-4-carboxamide
CID 9969436
1-[1-(4-Fluoro-2-phenylmethoxyphenyl)-4-hydroxypentan-3-yl]imidazole-4-carboxamide
CID 10111414
1-[(3R,4S)-1-[3-(4-fluorophenyl)phenoxy]-4-hydroxypentan-3-yl]imidazole-4-carboxamide
CID 10156790
1-[4-[Tert-butyl(dimethyl)silyl]oxy-1-(4-fluoro-2-phenylmethoxyphenyl)pentan-3-yl]imidazole-4-carboxamide
CID 10164568

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-[3-(4-chlorophenyl)propoxy]phenyl]-4-hydroxypentan-3-yl]imidazole-4-carboxamide?
The IUPAC name of 1-[1-[2-[3-(4-chlorophenyl)propoxy]phenyl]-4-hydroxypentan-3-yl]imidazole-4-carboxamide (CID 10275108) is 1-[1-[2-[3-(4-chlorophenyl)propoxy]phenyl]-4-hydroxypentan-3-yl]imidazole-4-carboxamide.
What is the SMILES notation for 1-[1-[2-[3-(4-chlorophenyl)propoxy]phenyl]-4-hydroxypentan-3-yl]imidazole-4-carboxamide?
The canonical SMILES for 1-[1-[2-[3-(4-chlorophenyl)propoxy]phenyl]-4-hydroxypentan-3-yl]imidazole-4-carboxamide is CC(O)C(CCc1ccccc1OCCCc1ccc(Cl)cc1)n1cnc(C(N)=O)c1.
What is the InChIKey of 1-[1-[2-[3-(4-chlorophenyl)propoxy]phenyl]-4-hydroxypentan-3-yl]imidazole-4-carboxamide?
The InChIKey is AZNCRYWMUBHUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O3/c1-17(29)22(28-15-21(24(26)30)27-16-28)13-10-19-6-2-3-7-23(19)31-14-4-5-18-8-11-20(25)12-9-18/h2-3,6-9,11-12,15-17,22,29H,4-5,10,13-14H2,1H3,(H2,26,30).
What are the key properties of 1-[1-[2-[3-(4-chlorophenyl)propoxy]phenyl]-4-hydroxypentan-3-yl]imidazole-4-carboxamide?
1-[1-[2-[3-(4-chlorophenyl)propoxy]phenyl]-4-hydroxypentan-3-yl]imidazole-4-carboxamide has a molecular weight of 441.96 g/mol, XLogP of 4.20, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-[3-(4-chlorophenyl)propoxy]phenyl]-4-hydroxypentan-3-yl]imidazole-4-carboxamide is sourced from PubChem (CID 10275108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).