2-(2-bicyclo[2.2.1]heptanyl)-4,4-dimethyl-1H-imidazol-5-one

C12H18N2O — CID 106953288

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-4,4-dimethyl-1H-imidazol-5-one
SMILESCC1(C)N=C(C2CC3CCC2C3)NC1=O
InChIInChI=1S/C12H18N2O/c1-12(2)11(15)13-10(14-12)9-6-7-3-4-8(9)5-7/h7-9H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyLIBWXBSNVJTPNM-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.73
Rot. Bonds1

About 2-(2-bicyclo[2.2.1]heptanyl)-4,4-dimethyl-1H-imidazol-5-one

2-(2-bicyclo[2.2.1]heptanyl)-4,4-dimethyl-1H-imidazol-5-one (PubChem CID 106953288) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-4,4-dimethyl-1H-imidazol-5-one.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-4,4-dimethyl-1H-imidazol-5-one
PubChem CID106953288
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-4,4-dimethyl-1H-imidazol-5-one
SMILESCC1(C)N=C(C2CC3CCC2C3)NC1=O
InChIInChI=1S/C12H18N2O/c1-12(2)11(15)13-10(14-12)9-6-7-3-4-8(9)5-7/h7-9H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyLIBWXBSNVJTPNM-UHFFFAOYSA-N
XLogP1.73
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-bicyclo[2.2.1]heptanyl)-4,4-dimethyl-1H-imidazol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,4-dimethyl-2-(4-methylcyclohexyl)-1H-imidazol-5-one
CID 106953392
4-(2-bicyclo[2.2.1]heptanyl)-3H-1,3-thiazol-2-one
CID 130640818
3-(2-bicyclo[2.2.1]heptanyl)-1H-pyridin-2-one
CID 19748684
(5S)-5-acetyl-2-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]imino]-5-methyl-1,3-thiazolidin-4-one;(5R)-5-acetyl-2-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]imino]-5-methyl-1,3-thiazolidin-4-one
CID 158700064
(5R)-2-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]imino]-5-(1,1-difluoroethyl)-5-methyl-1,3-thiazolidin-4-one
CID 135999762
2-[[(2S,4R)-2-bicyclo[2.2.1]heptanyl]imino]-5-(2-hydroxypropan-2-yl)-5-methyl-1,3-thiazolidin-4-one
CID 136503065
(5R)-2-[[(2S,4R)-2-bicyclo[2.2.1]heptanyl]imino]-5-(2-fluoropropan-2-yl)-5-methyl-1,3-thiazolidin-4-one
CID 136503261
(1R,2R,4S)-2-(3,5-dimethylphenyl)bicyclo[2.2.1]heptane
CID 101176008
2-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]imino]-5-methyl-5-(oxan-4-ylmethyl)-1,3-thiazolidin-4-one
CID 135989120
6-(2-bicyclo[2.2.1]heptanyl)-2-methyl-2-sulfanylcyclohexan-1-one
CID 87189391
3-(2-adamantyl)-3-methylazetidin-2-one
CID 86123439
(1R,2S,4R)-2-cyclopenta-1,3-dien-1-ylbicyclo[2.2.1]heptane
CID 102279327

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-4,4-dimethyl-1H-imidazol-5-one?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-4,4-dimethyl-1H-imidazol-5-one (CID 106953288) is 2-(2-bicyclo[2.2.1]heptanyl)-4,4-dimethyl-1H-imidazol-5-one.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-4,4-dimethyl-1H-imidazol-5-one?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-4,4-dimethyl-1H-imidazol-5-one is CC1(C)N=C(C2CC3CCC2C3)NC1=O.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-4,4-dimethyl-1H-imidazol-5-one?
The InChIKey is LIBWXBSNVJTPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-12(2)11(15)13-10(14-12)9-6-7-3-4-8(9)5-7/h7-9H,3-6H2,1-2H3,(H,13,14,15).
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-4,4-dimethyl-1H-imidazol-5-one?
2-(2-bicyclo[2.2.1]heptanyl)-4,4-dimethyl-1H-imidazol-5-one has a molecular weight of 206.29 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-4,4-dimethyl-1H-imidazol-5-one is sourced from PubChem (CID 106953288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).