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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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).