3-methyl-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-1H-imidazole-4-carboxamide

C16H19N3O2 — CID 126839968

IUPAC3-methyl-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-1H-imidazole-4-carboxamide
SMILESCC1CCc2ccccc2C1NC(=O)c1c[nH]c(=O)n1C
InChIInChI=1S/C16H19N3O2/c1-10-7-8-11-5-3-4-6-12(11)14(10)18-15(20)13-9-17-16(21)19(13)2/h3-6,9-10,14H,7-8H2,1-2H3,(H,17,21)(H,18,20)
InChIKeyNCQDPVLGPOOQIT-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.77
Rot. Bonds2

About 3-methyl-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-1H-imidazole-4-carboxamide

3-methyl-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-1H-imidazole-4-carboxamide (PubChem CID 126839968) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 3-methyl-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-1H-imidazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-1H-imidazole-4-carboxamide
PubChem CID126839968
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name3-methyl-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-1H-imidazole-4-carboxamide
SMILESCC1CCc2ccccc2C1NC(=O)c1c[nH]c(=O)n1C
InChIInChI=1S/C16H19N3O2/c1-10-7-8-11-5-3-4-6-12(11)14(10)18-15(20)13-9-17-16(21)19(13)2/h3-6,9-10,14H,7-8H2,1-2H3,(H,17,21)(H,18,20)
InChIKeyNCQDPVLGPOOQIT-UHFFFAOYSA-N
XLogP1.77
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-2-hydroxy-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 11232317
N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)prop-2-enamide
CID 162747128
2-[(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120977349
(2R)-2-amino-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide;hydrochloride
CID 120873780
1-[(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122008246
2-ethyl-5-[(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]furan-3-carboxylic acid
CID 120822635
2-amino-3-methoxy-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide;hydrochloride
CID 120993734
N-[(1S,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 102358584
3-(dimethylsulfamoyl)-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 75499008
N-(6-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)oxane-4-carboxamide
CID 166215337
N-[(1R,2S)-2-iodo-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 139750970
2-[3-[(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-3-oxopropyl]benzoic acid
CID 120550949

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-1H-imidazole-4-carboxamide?
The IUPAC name of 3-methyl-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-1H-imidazole-4-carboxamide (CID 126839968) is 3-methyl-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-1H-imidazole-4-carboxamide.
What is the SMILES notation for 3-methyl-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-1H-imidazole-4-carboxamide?
The canonical SMILES for 3-methyl-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-1H-imidazole-4-carboxamide is CC1CCc2ccccc2C1NC(=O)c1c[nH]c(=O)n1C.
What is the InChIKey of 3-methyl-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-1H-imidazole-4-carboxamide?
The InChIKey is NCQDPVLGPOOQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-10-7-8-11-5-3-4-6-12(11)14(10)18-15(20)13-9-17-16(21)19(13)2/h3-6,9-10,14H,7-8H2,1-2H3,(H,17,21)(H,18,20).
What are the key properties of 3-methyl-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-1H-imidazole-4-carboxamide?
3-methyl-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-1H-imidazole-4-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-1H-imidazole-4-carboxamide is sourced from PubChem (CID 126839968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).