1-methyl-N-[(3-methylphenyl)methyl]-N-(oxan-4-yl)imidazole-4-carboxamide

C18H23N3O2 — CID 158964319

IUPAC1-methyl-N-[(3-methylphenyl)methyl]-N-(oxan-4-yl)imidazole-4-carboxamide
SMILESCc1cccc(CN(C(=O)c2cn(C)cn2)C2CCOCC2)c1
InChIInChI=1S/C18H23N3O2/c1-14-4-3-5-15(10-14)11-21(16-6-8-23-9-7-16)18(22)17-12-20(2)13-19-17/h3-5,10,12-13,16H,6-9,11H2,1-2H3
InChIKeyXPDNSDXMCYPCAY-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.55
Rot. Bonds4

About 1-methyl-N-[(3-methylphenyl)methyl]-N-(oxan-4-yl)imidazole-4-carboxamide

1-methyl-N-[(3-methylphenyl)methyl]-N-(oxan-4-yl)imidazole-4-carboxamide (PubChem CID 158964319) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-methyl-N-[(3-methylphenyl)methyl]-N-(oxan-4-yl)imidazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(3-methylphenyl)methyl]-N-(oxan-4-yl)imidazole-4-carboxamide
PubChem CID158964319
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name1-methyl-N-[(3-methylphenyl)methyl]-N-(oxan-4-yl)imidazole-4-carboxamide
SMILESCc1cccc(CN(C(=O)c2cn(C)cn2)C2CCOCC2)c1
InChIInChI=1S/C18H23N3O2/c1-14-4-3-5-15(10-14)11-21(16-6-8-23-9-7-16)18(22)17-12-20(2)13-19-17/h3-5,10,12-13,16H,6-9,11H2,1-2H3
InChIKeyXPDNSDXMCYPCAY-UHFFFAOYSA-N
XLogP2.55
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-(thian-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide
CID 46916816
1-methylimidazole-4-carboxylic acid;1-methyl-N-(oxan-4-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide;N-[[3-(trifluoromethoxy)phenyl]methyl]oxan-4-amine
CID 160855433
N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide
CID 70306979
N-[(3-bromo-4-fluorophenyl)methyl]-N-cyclopentyl-1-methylimidazole-4-carboxamide
CID 66888537
N-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-N-[(3-cyclopentyloxyphenyl)methyl]-1-methylimidazole-4-carboxamide
CID 46231013
N-cyclobutyl-N-[[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]methyl]-1-methylimidazole-4-carboxamide
CID 56944388
N-cyclobutyl-N-[[2-(3,5-difluorophenyl)-4-pyridinyl]methyl]-1-methylimidazole-4-carboxamide
CID 56944292
2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)acetamide
CID 90607368
N-cyclopropyl-3-methyl-N-(oxan-4-yl)benzamide
CID 110873037
N-cyclobutyl-N-[[2-(4-fluoro-3-hydroxyphenyl)-4-pyridinyl]methyl]-1-methylimidazole-4-carboxamide
CID 86690499
2-(3-methylphenyl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 71796110
N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-1-methyl-N-[1-(2-morpholin-4-yl-2-oxo-1-phenylethyl)azepan-4-yl]imidazole-4-carboxamide
CID 24989589

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(3-methylphenyl)methyl]-N-(oxan-4-yl)imidazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[(3-methylphenyl)methyl]-N-(oxan-4-yl)imidazole-4-carboxamide (CID 158964319) is 1-methyl-N-[(3-methylphenyl)methyl]-N-(oxan-4-yl)imidazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[(3-methylphenyl)methyl]-N-(oxan-4-yl)imidazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[(3-methylphenyl)methyl]-N-(oxan-4-yl)imidazole-4-carboxamide is Cc1cccc(CN(C(=O)c2cn(C)cn2)C2CCOCC2)c1.
What is the InChIKey of 1-methyl-N-[(3-methylphenyl)methyl]-N-(oxan-4-yl)imidazole-4-carboxamide?
The InChIKey is XPDNSDXMCYPCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-14-4-3-5-15(10-14)11-21(16-6-8-23-9-7-16)18(22)17-12-20(2)13-19-17/h3-5,10,12-13,16H,6-9,11H2,1-2H3.
What are the key properties of 1-methyl-N-[(3-methylphenyl)methyl]-N-(oxan-4-yl)imidazole-4-carboxamide?
1-methyl-N-[(3-methylphenyl)methyl]-N-(oxan-4-yl)imidazole-4-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(3-methylphenyl)methyl]-N-(oxan-4-yl)imidazole-4-carboxamide is sourced from PubChem (CID 158964319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).