N-[2-(cyclohexen-1-yl)ethyl]-3-phenylimidazole-4-carboxamide

C18H21N3O — CID 9118961

IUPACN-[2-(cyclohexen-1-yl)ethyl]-3-phenylimidazole-4-carboxamide
SMILESO=C(NCCC1=CCCCC1)c1cncn1-c1ccccc1
InChIInChI=1S/C18H21N3O/c22-18(20-12-11-15-7-3-1-4-8-15)17-13-19-14-21(17)16-9-5-2-6-10-16/h2,5-7,9-10,13-14H,1,3-4,8,11-12H2,(H,20,22)
InChIKeyDNUYDMKBTGUJTH-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.49
Rot. Bonds5

About N-[2-(cyclohexen-1-yl)ethyl]-3-phenylimidazole-4-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-3-phenylimidazole-4-carboxamide (PubChem CID 9118961) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-3-phenylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-3-phenylimidazole-4-carboxamide
PubChem CID9118961
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-3-phenylimidazole-4-carboxamide
SMILESO=C(NCCC1=CCCCC1)c1cncn1-c1ccccc1
InChIInChI=1S/C18H21N3O/c22-18(20-12-11-15-7-3-1-4-8-15)17-13-19-14-21(17)16-9-5-2-6-10-16/h2,5-7,9-10,13-14H,1,3-4,8,11-12H2,(H,20,22)
InChIKeyDNUYDMKBTGUJTH-UHFFFAOYSA-N
XLogP3.49
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,4-dihydroxyphenyl)ethyl]-3-phenylimidazole-4-carboxamide
CID 78820322
7-[(3-phenylimidazole-4-carbonyl)amino]heptanoic acid
CID 75414767
N-[2-(cyclohexen-1-yl)ethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
CID 27666504
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109251049
N-[2-(cyclohexen-1-yl)ethyl]-5-(4-phenylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109275408
2-methyl-4-[(3-phenylimidazole-4-carbonyl)amino]butanoic acid
CID 80536971
N-[2-(cyclohexen-1-yl)ethyl]pyridine-3-carboxamide;hydrochloride
CID 110755256
3-N,5-N-bis[2-(cyclohexen-1-yl)ethyl]pyridine-3,5-dicarboxamide
CID 109103293
N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-3-phenylimidazole-4-carboxamide
CID 27708220
N-[2-(cyclohexen-1-yl)ethyl]-6-(4-phenylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109113643
2-chloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 835623
N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-phenylethyl)oxamide
CID 2294960

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-phenylimidazole-4-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-phenylimidazole-4-carboxamide (CID 9118961) is N-[2-(cyclohexen-1-yl)ethyl]-3-phenylimidazole-4-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-3-phenylimidazole-4-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-3-phenylimidazole-4-carboxamide is O=C(NCCC1=CCCCC1)c1cncn1-c1ccccc1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-3-phenylimidazole-4-carboxamide?
The InChIKey is DNUYDMKBTGUJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c22-18(20-12-11-15-7-3-1-4-8-15)17-13-19-14-21(17)16-9-5-2-6-10-16/h2,5-7,9-10,13-14H,1,3-4,8,11-12H2,(H,20,22).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-3-phenylimidazole-4-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-3-phenylimidazole-4-carboxamide has a molecular weight of 295.39 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-3-phenylimidazole-4-carboxamide is sourced from PubChem (CID 9118961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).