N-benzyl-1-(2-hydroxynonan-3-yl)imidazole-4-carboxamide

C20H29N3O2 — CID 14888753

IUPACN-benzyl-1-(2-hydroxynonan-3-yl)imidazole-4-carboxamide
SMILESCCCCCCC(C(C)O)n1cnc(C(=O)NCc2ccccc2)c1
InChIInChI=1S/C20H29N3O2/c1-3-4-5-9-12-19(16(2)24)23-14-18(22-15-23)20(25)21-13-17-10-7-6-8-11-17/h6-8,10-11,14-16,19,24H,3-5,9,12-13H2,1-2H3,(H,21,25)
InChIKeyCFWDVWNYKYWZEX-UHFFFAOYSA-N
MW343.47 g/mol
LogP3.71
Rot. Bonds10

About N-benzyl-1-(2-hydroxynonan-3-yl)imidazole-4-carboxamide

N-benzyl-1-(2-hydroxynonan-3-yl)imidazole-4-carboxamide (PubChem CID 14888753) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-benzyl-1-(2-hydroxynonan-3-yl)imidazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(2-hydroxynonan-3-yl)imidazole-4-carboxamide
PubChem CID14888753
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC NameN-benzyl-1-(2-hydroxynonan-3-yl)imidazole-4-carboxamide
SMILESCCCCCCC(C(C)O)n1cnc(C(=O)NCc2ccccc2)c1
InChIInChI=1S/C20H29N3O2/c1-3-4-5-9-12-19(16(2)24)23-14-18(22-15-23)20(25)21-13-17-10-7-6-8-11-17/h6-8,10-11,14-16,19,24H,3-5,9,12-13H2,1-2H3,(H,21,25)
InChIKeyCFWDVWNYKYWZEX-UHFFFAOYSA-N
XLogP3.71
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.71
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

N-ethyl-1-(2-hydroxynonan-3-yl)imidazole-4-carboxamide
CID 14888746
2-[4-[(4-hydroxyphenyl)methylcarbamoyl]imidazol-1-yl]octanoic acid
CID 23373470
1-(2-hydroxynonan-3-yl)imidazole-4-carbothioamide
CID 14888768
N-benzhydryl-1-(1-cyanoheptyl)imidazole-4-carboxamide
CID 23373489
(2S,3R)-3-(1,2,4-triazol-4-yl)nonan-2-ol
CID 10036067
N-benzyl-1-(4-methylphenyl)imidazole-4-carboxamide
CID 100825109
N-benzylundecanamide
CID 5078198
N-benzyl-6-(heptylamino)pyrazine-2-carboxamide
CID 127038258
N'-benzylhexadecanehydrazide
CID 154391297
N-benzyl-2-hydroxypentanamide
CID 141058656
(2S,3R)-N-benzyl-2-bromo-2-fluoro-3-hydroxyoctanamide
CID 71740857
4-[(4S)-1-(benzylamino)-1-oxodecan-4-yl]oxy-4-oxobutanoic acid
CID 10691000

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(2-hydroxynonan-3-yl)imidazole-4-carboxamide?
The IUPAC name of N-benzyl-1-(2-hydroxynonan-3-yl)imidazole-4-carboxamide (CID 14888753) is N-benzyl-1-(2-hydroxynonan-3-yl)imidazole-4-carboxamide.
What is the SMILES notation for N-benzyl-1-(2-hydroxynonan-3-yl)imidazole-4-carboxamide?
The canonical SMILES for N-benzyl-1-(2-hydroxynonan-3-yl)imidazole-4-carboxamide is CCCCCCC(C(C)O)n1cnc(C(=O)NCc2ccccc2)c1.
What is the InChIKey of N-benzyl-1-(2-hydroxynonan-3-yl)imidazole-4-carboxamide?
The InChIKey is CFWDVWNYKYWZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-3-4-5-9-12-19(16(2)24)23-14-18(22-15-23)20(25)21-13-17-10-7-6-8-11-17/h6-8,10-11,14-16,19,24H,3-5,9,12-13H2,1-2H3,(H,21,25).
What are the key properties of N-benzyl-1-(2-hydroxynonan-3-yl)imidazole-4-carboxamide?
N-benzyl-1-(2-hydroxynonan-3-yl)imidazole-4-carboxamide has a molecular weight of 343.47 g/mol, XLogP of 3.71, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(2-hydroxynonan-3-yl)imidazole-4-carboxamide is sourced from PubChem (CID 14888753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).