N-(4-hydroxybutyl)-3-phenylimidazole-4-carboxamide

C14H17N3O2 — CID 106843413

IUPACN-(4-hydroxybutyl)-3-phenylimidazole-4-carboxamide
SMILESO=C(NCCCCO)c1cncn1-c1ccccc1
InChIInChI=1S/C14H17N3O2/c18-9-5-4-8-16-14(19)13-10-15-11-17(13)12-6-2-1-3-7-12/h1-3,6-7,10-11,18H,4-5,8-9H2,(H,16,19)
InChIKeyOTDXDZRUVWGNCW-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.37
Rot. Bonds6

About N-(4-hydroxybutyl)-3-phenylimidazole-4-carboxamide

N-(4-hydroxybutyl)-3-phenylimidazole-4-carboxamide (PubChem CID 106843413) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-(4-hydroxybutyl)-3-phenylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxybutyl)-3-phenylimidazole-4-carboxamide
PubChem CID106843413
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-(4-hydroxybutyl)-3-phenylimidazole-4-carboxamide
SMILESO=C(NCCCCO)c1cncn1-c1ccccc1
InChIInChI=1S/C14H17N3O2/c18-9-5-4-8-16-14(19)13-10-15-11-17(13)12-6-2-1-3-7-12/h1-3,6-7,10-11,18H,4-5,8-9H2,(H,16,19)
InChIKeyOTDXDZRUVWGNCW-UHFFFAOYSA-N
XLogP1.37
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-[(3-phenylimidazole-4-carbonyl)amino]heptanoic acid
CID 75414767
N-ethyl-3-phenylimidazole-4-carboxamide
CID 47109591
2-methyl-4-[(3-phenylimidazole-4-carbonyl)amino]butanoic acid
CID 80536971
N-[3-(4-methylpiperidin-1-yl)propyl]-3-phenylimidazole-4-carboxamide
CID 35416761
N-[2-(3,4-dihydroxyphenyl)ethyl]-3-phenylimidazole-4-carboxamide
CID 78820322
N-(3-amino-2-methylpropyl)-3-phenylimidazole-4-carboxamide
CID 119996977
N-[2-(cyclohexen-1-yl)ethyl]-3-phenylimidazole-4-carboxamide
CID 9118961
(2S)-3-hydroxy-2-[(3-phenylimidazole-4-carbonyl)amino]propanoic acid
CID 61153195
3-phenyl-N-[(1-phenylcyclopropyl)methyl]imidazole-4-carboxamide
CID 42145677
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-phenylimidazole-4-carboxamide
CID 111451586
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-phenylimidazole-4-carboxamide
CID 17401011
N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-3-phenylimidazole-4-carboxamide
CID 27708220

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxybutyl)-3-phenylimidazole-4-carboxamide?
The IUPAC name of N-(4-hydroxybutyl)-3-phenylimidazole-4-carboxamide (CID 106843413) is N-(4-hydroxybutyl)-3-phenylimidazole-4-carboxamide.
What is the SMILES notation for N-(4-hydroxybutyl)-3-phenylimidazole-4-carboxamide?
The canonical SMILES for N-(4-hydroxybutyl)-3-phenylimidazole-4-carboxamide is O=C(NCCCCO)c1cncn1-c1ccccc1.
What is the InChIKey of N-(4-hydroxybutyl)-3-phenylimidazole-4-carboxamide?
The InChIKey is OTDXDZRUVWGNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c18-9-5-4-8-16-14(19)13-10-15-11-17(13)12-6-2-1-3-7-12/h1-3,6-7,10-11,18H,4-5,8-9H2,(H,16,19).
What are the key properties of N-(4-hydroxybutyl)-3-phenylimidazole-4-carboxamide?
N-(4-hydroxybutyl)-3-phenylimidazole-4-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxybutyl)-3-phenylimidazole-4-carboxamide is sourced from PubChem (CID 106843413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).