3-benzyl-N-cycloheptyl-2-oxo-1H-imidazole-4-carboxamide

C18H23N3O2 — CID 84576643

IUPAC3-benzyl-N-cycloheptyl-2-oxo-1H-imidazole-4-carboxamide
SMILESO=C(NC1CCCCCC1)c1c[nH]c(=O)n1Cc1ccccc1
InChIInChI=1S/C18H23N3O2/c22-17(20-15-10-6-1-2-7-11-15)16-12-19-18(23)21(16)13-14-8-4-3-5-9-14/h3-5,8-9,12,15H,1-2,6-7,10-11,13H2,(H,19,23)(H,20,22)
InChIKeyFXSFZUDOTOGNAJ-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.68
Rot. Bonds4

About 3-benzyl-N-cycloheptyl-2-oxo-1H-imidazole-4-carboxamide

3-benzyl-N-cycloheptyl-2-oxo-1H-imidazole-4-carboxamide (PubChem CID 84576643) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 3-benzyl-N-cycloheptyl-2-oxo-1H-imidazole-4-carboxamide.

Molecular Properties

Compound Name3-benzyl-N-cycloheptyl-2-oxo-1H-imidazole-4-carboxamide
PubChem CID84576643
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name3-benzyl-N-cycloheptyl-2-oxo-1H-imidazole-4-carboxamide
SMILESO=C(NC1CCCCCC1)c1c[nH]c(=O)n1Cc1ccccc1
InChIInChI=1S/C18H23N3O2/c22-17(20-15-10-6-1-2-7-11-15)16-12-19-18(23)21(16)13-14-8-4-3-5-9-14/h3-5,8-9,12,15H,1-2,6-7,10-11,13H2,(H,19,23)(H,20,22)
InChIKeyFXSFZUDOTOGNAJ-UHFFFAOYSA-N
XLogP2.68
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-N-cyclohexyl-6-hydroxy-2,4-dioxopyrimidine-5-carboxamide
CID 66522623
3-benzyl-4-(4-hydroxypiperidine-1-carbonyl)-1H-imidazol-2-one
CID 112531172
3-benzyl-2-oxo-N-(4-phenoxyphenyl)-1H-imidazole-4-carboxamide
CID 112523899
3-benzyl-N-[(2,6-difluorophenyl)methyl]-2-oxo-1H-imidazole-4-carboxamide
CID 112522455
3-benzyl-N-(2,5-dichlorophenyl)-2-oxo-1H-imidazole-4-carboxamide
CID 112523234
N-cyclohexyl-2-[(4-ethylphenyl)methyl]-1-oxo-6-phenylpyrrolo[1,2-a]pyrazine-3-carboxamide
CID 71172198
1-benzyl-N-cyclohexylpyrazole-4-carboxamide
CID 40710526
1-benzyl-N-cyclopentylindole-3-carboxamide
CID 26721989
3-benzyl-N-cyclohexyl-4-oxophthalazine-1-carboxamide
CID 4811377
N-(1,3-benzoxazol-5-yl)-3-benzyl-2-oxo-1H-imidazole-4-carboxamide
CID 112525477
3-benzyl-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-7-yl)-1H-imidazole-4-carboxamide
CID 112522725
(2S)-2-[(4-benzyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclopentylpropanamide
CID 8933148

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-N-cycloheptyl-2-oxo-1H-imidazole-4-carboxamide?
The IUPAC name of 3-benzyl-N-cycloheptyl-2-oxo-1H-imidazole-4-carboxamide (CID 84576643) is 3-benzyl-N-cycloheptyl-2-oxo-1H-imidazole-4-carboxamide.
What is the SMILES notation for 3-benzyl-N-cycloheptyl-2-oxo-1H-imidazole-4-carboxamide?
The canonical SMILES for 3-benzyl-N-cycloheptyl-2-oxo-1H-imidazole-4-carboxamide is O=C(NC1CCCCCC1)c1c[nH]c(=O)n1Cc1ccccc1.
What is the InChIKey of 3-benzyl-N-cycloheptyl-2-oxo-1H-imidazole-4-carboxamide?
The InChIKey is FXSFZUDOTOGNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c22-17(20-15-10-6-1-2-7-11-15)16-12-19-18(23)21(16)13-14-8-4-3-5-9-14/h3-5,8-9,12,15H,1-2,6-7,10-11,13H2,(H,19,23)(H,20,22).
What are the key properties of 3-benzyl-N-cycloheptyl-2-oxo-1H-imidazole-4-carboxamide?
3-benzyl-N-cycloheptyl-2-oxo-1H-imidazole-4-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-N-cycloheptyl-2-oxo-1H-imidazole-4-carboxamide is sourced from PubChem (CID 84576643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).