2-[4-[(4-hydroxyphenyl)methylcarbamoyl]imidazol-1-yl]octanoic acid

C19H25N3O4 — CID 23373470

IUPAC2-[4-[(4-hydroxyphenyl)methylcarbamoyl]imidazol-1-yl]octanoic acid
SMILESCCCCCCC(C(=O)O)n1cnc(C(=O)NCc2ccc(O)cc2)c1
InChIInChI=1S/C19H25N3O4/c1-2-3-4-5-6-17(19(25)26)22-12-16(21-13-22)18(24)20-11-14-7-9-15(23)10-8-14/h7-10,12-13,17,23H,2-6,11H2,1H3,(H,20,24)(H,25,26)
InChIKeyNVDDTQKAJBNXQG-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.11
Rot. Bonds10

About 2-[4-[(4-hydroxyphenyl)methylcarbamoyl]imidazol-1-yl]octanoic acid

2-[4-[(4-hydroxyphenyl)methylcarbamoyl]imidazol-1-yl]octanoic acid (PubChem CID 23373470) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-[4-[(4-hydroxyphenyl)methylcarbamoyl]imidazol-1-yl]octanoic acid.

Molecular Properties

Compound Name2-[4-[(4-hydroxyphenyl)methylcarbamoyl]imidazol-1-yl]octanoic acid
PubChem CID23373470
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Name2-[4-[(4-hydroxyphenyl)methylcarbamoyl]imidazol-1-yl]octanoic acid
SMILESCCCCCCC(C(=O)O)n1cnc(C(=O)NCc2ccc(O)cc2)c1
InChIInChI=1S/C19H25N3O4/c1-2-3-4-5-6-17(19(25)26)22-12-16(21-13-22)18(24)20-11-14-7-9-15(23)10-8-14/h7-10,12-13,17,23H,2-6,11H2,1H3,(H,20,24)(H,25,26)
InChIKeyNVDDTQKAJBNXQG-UHFFFAOYSA-N
XLogP3.11
TPSA104.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-1-(2-hydroxynonan-3-yl)imidazole-4-carboxamide
CID 14888753
N-ethyl-1-(2-hydroxynonan-3-yl)imidazole-4-carboxamide
CID 14888746
2-[4-[[2-(carboxymethyl)benzoyl]amino]imidazol-1-yl]octanoic acid;hydrate
CID 67769947
N-benzhydryl-1-(1-cyanoheptyl)imidazole-4-carboxamide
CID 23373489
N-[(4-hydroxyphenyl)methyl]-2-(4-pentoxyphenyl)acetamide
CID 139995806
1-[(4-hydroxyphenyl)methyl]-3-pentadecylurea
CID 19597068
1-hentriacontyl-3-[(4-hydroxyphenyl)methyl]urea
CID 139845203
N-docosyl-N'-[(4-hydroxyphenyl)methyl]oxamide
CID 19597122
1-[(4-hydroxyphenyl)methyl]-3-tetratriacontylurea
CID 139845221
N'-[(4-hydroxyphenyl)methyl]-N-triacontyloxamide
CID 139845207
2-imidazol-1-yltridecanoic acid
CID 69479791
(2S)-2-amino-N-[(4-hydroxyphenyl)methyl]hexanamide
CID 67015275

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-hydroxyphenyl)methylcarbamoyl]imidazol-1-yl]octanoic acid?
The IUPAC name of 2-[4-[(4-hydroxyphenyl)methylcarbamoyl]imidazol-1-yl]octanoic acid (CID 23373470) is 2-[4-[(4-hydroxyphenyl)methylcarbamoyl]imidazol-1-yl]octanoic acid.
What is the SMILES notation for 2-[4-[(4-hydroxyphenyl)methylcarbamoyl]imidazol-1-yl]octanoic acid?
The canonical SMILES for 2-[4-[(4-hydroxyphenyl)methylcarbamoyl]imidazol-1-yl]octanoic acid is CCCCCCC(C(=O)O)n1cnc(C(=O)NCc2ccc(O)cc2)c1.
What is the InChIKey of 2-[4-[(4-hydroxyphenyl)methylcarbamoyl]imidazol-1-yl]octanoic acid?
The InChIKey is NVDDTQKAJBNXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-2-3-4-5-6-17(19(25)26)22-12-16(21-13-22)18(24)20-11-14-7-9-15(23)10-8-14/h7-10,12-13,17,23H,2-6,11H2,1H3,(H,20,24)(H,25,26).
What are the key properties of 2-[4-[(4-hydroxyphenyl)methylcarbamoyl]imidazol-1-yl]octanoic acid?
2-[4-[(4-hydroxyphenyl)methylcarbamoyl]imidazol-1-yl]octanoic acid has a molecular weight of 359.43 g/mol, XLogP of 3.11, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-hydroxyphenyl)methylcarbamoyl]imidazol-1-yl]octanoic acid is sourced from PubChem (CID 23373470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).