1-[5-[3-(3,5-dichlorophenyl)phenoxy]-2-hydroxypentyl]imidazole-4-carboxamide

C21H21Cl2N3O3 — CID 22054979

IUPAC1-[5-[3-(3,5-dichlorophenyl)phenoxy]-2-hydroxypentyl]imidazole-4-carboxamide
SMILESNC(=O)c1cn(CC(O)CCCOc2cccc(-c3cc(Cl)cc(Cl)c3)c2)cn1
InChIInChI=1S/C21H21Cl2N3O3/c22-16-7-15(8-17(23)10-16)14-3-1-5-19(9-14)29-6-2-4-18(27)11-26-12-20(21(24)28)25-13-26/h1,3,5,7-10,12-13,18,27H,2,4,6,11H2,(H2,24,28)
InChIKeyGMINSJQVHDJCHJ-UHFFFAOYSA-N
MW434.32 g/mol
LogP4.18
Rot. Bonds9

About 1-[5-[3-(3,5-dichlorophenyl)phenoxy]-2-hydroxypentyl]imidazole-4-carboxamide

1-[5-[3-(3,5-dichlorophenyl)phenoxy]-2-hydroxypentyl]imidazole-4-carboxamide (PubChem CID 22054979) has the molecular formula C21H21Cl2N3O3 and a molecular weight of 434.32 g/mol. Its IUPAC name is 1-[5-[3-(3,5-dichlorophenyl)phenoxy]-2-hydroxypentyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name1-[5-[3-(3,5-dichlorophenyl)phenoxy]-2-hydroxypentyl]imidazole-4-carboxamide
PubChem CID22054979
Molecular FormulaC21H21Cl2N3O3
Molecular Weight434.32 g/mol
Exact Mass433.10
IUPAC Name1-[5-[3-(3,5-dichlorophenyl)phenoxy]-2-hydroxypentyl]imidazole-4-carboxamide
SMILESNC(=O)c1cn(CC(O)CCCOc2cccc(-c3cc(Cl)cc(Cl)c3)c2)cn1
InChIInChI=1S/C21H21Cl2N3O3/c22-16-7-15(8-17(23)10-16)14-3-1-5-19(9-14)29-6-2-4-18(27)11-26-12-20(21(24)28)25-13-26/h1,3,5,7-10,12-13,18,27H,2,4,6,11H2,(H2,24,28)
InChIKeyGMINSJQVHDJCHJ-UHFFFAOYSA-N
XLogP4.18
TPSA90.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.32
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[5-[3-(3,5-dichlorophenyl)phenoxy]-2-hydroxypentyl]imidazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-[3-(4-fluorophenyl)phenoxy]-2-hydroxypentyl]imidazole-4-carboxamide
CID 22055006
1-[2-[tert-butyl(dimethyl)silyl]oxy-5-[3-(6-chloro-3-pyridinyl)phenoxy]pentyl]imidazole-4-carboxamide
CID 22054971
1-[2-hydroxy-5-[(2-methyl-1,3-benzothiazol-5-yl)oxy]pentyl]imidazole-4-carboxamide
CID 22054962
1-(2-hydroxy-5-naphthalen-2-ylpentyl)imidazole-4-carboxamide
CID 22628538
1-[2-[tert-butyl(dimethyl)silyl]oxy-5-(3-thiophen-2-ylphenoxy)pentyl]imidazole-4-carboxamide
CID 22054997
1-[2-[tert-butyl(dimethyl)silyl]oxy-5-[3-(6-methoxy-3-pyridinyl)phenoxy]pentyl]imidazole-4-carboxamide
CID 22054924
1-[1-[3-(6-chloro-3-pyridinyl)phenoxy]-4-hydroxypentan-3-yl]imidazole-4-carboxamide
CID 91481011
1-[(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[3-(5-chlorothiophen-2-yl)phenoxy]pentan-3-yl]imidazole-4-carboxamide
CID 10301608
1-[(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-(3-phenylphenoxy)pentan-3-yl]imidazole-4-carboxamide
CID 10116657
1-[2-hydroxy-5-[2-[(4-methylsulfanylphenyl)methoxy]phenyl]pentyl]imidazole-4-carboxamide
CID 22391673
1-(2,3-dimethylhexyl)imidazole-4-carboxamide
CID 174595055
4-[3-(2-bromoethoxy)phenyl]benzamide
CID 58276262

Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-(3,5-dichlorophenyl)phenoxy]-2-hydroxypentyl]imidazole-4-carboxamide?
The IUPAC name of 1-[5-[3-(3,5-dichlorophenyl)phenoxy]-2-hydroxypentyl]imidazole-4-carboxamide (CID 22054979) is 1-[5-[3-(3,5-dichlorophenyl)phenoxy]-2-hydroxypentyl]imidazole-4-carboxamide.
What is the SMILES notation for 1-[5-[3-(3,5-dichlorophenyl)phenoxy]-2-hydroxypentyl]imidazole-4-carboxamide?
The canonical SMILES for 1-[5-[3-(3,5-dichlorophenyl)phenoxy]-2-hydroxypentyl]imidazole-4-carboxamide is NC(=O)c1cn(CC(O)CCCOc2cccc(-c3cc(Cl)cc(Cl)c3)c2)cn1.
What is the InChIKey of 1-[5-[3-(3,5-dichlorophenyl)phenoxy]-2-hydroxypentyl]imidazole-4-carboxamide?
The InChIKey is GMINSJQVHDJCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2N3O3/c22-16-7-15(8-17(23)10-16)14-3-1-5-19(9-14)29-6-2-4-18(27)11-26-12-20(21(24)28)25-13-26/h1,3,5,7-10,12-13,18,27H,2,4,6,11H2,(H2,24,28).
What are the key properties of 1-[5-[3-(3,5-dichlorophenyl)phenoxy]-2-hydroxypentyl]imidazole-4-carboxamide?
1-[5-[3-(3,5-dichlorophenyl)phenoxy]-2-hydroxypentyl]imidazole-4-carboxamide has a molecular weight of 434.32 g/mol, XLogP of 4.18, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[3-(3,5-dichlorophenyl)phenoxy]-2-hydroxypentyl]imidazole-4-carboxamide is sourced from PubChem (CID 22054979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).