3,5-dimethyl-4-pentan-2-yl-1H-imidazol-2-one;ethane;molecular hydrogen

C12H26N2O — CID 144531427

IUPAC3,5-dimethyl-4-pentan-2-yl-1H-imidazol-2-one;ethane;molecular hydrogen
SMILESCC.CCCC(C)c1c(C)[nH]c(=O)n1C.[H][H]
InChIInChI=1S/C10H18N2O.C2H6.H2/c1-5-6-7(2)9-8(3)11-10(13)12(9)4;1-2;/h7H,5-6H2,1-4H3,(H,11,13);1-2H3;1H
InChIKeyWEXNIUVEMOXLJM-UHFFFAOYSA-N
MW214.35 g/mol
LogP3.20
Rot. Bonds3

About 3,5-dimethyl-4-pentan-2-yl-1H-imidazol-2-one;ethane;molecular hydrogen

3,5-dimethyl-4-pentan-2-yl-1H-imidazol-2-one;ethane;molecular hydrogen (PubChem CID 144531427) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 3,5-dimethyl-4-pentan-2-yl-1H-imidazol-2-one;ethane;molecular hydrogen.

Molecular Properties

Compound Name3,5-dimethyl-4-pentan-2-yl-1H-imidazol-2-one;ethane;molecular hydrogen
PubChem CID144531427
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name3,5-dimethyl-4-pentan-2-yl-1H-imidazol-2-one;ethane;molecular hydrogen
SMILESCC.CCCC(C)c1c(C)[nH]c(=O)n1C.[H][H]
InChIInChI=1S/C10H18N2O.C2H6.H2/c1-5-6-7(2)9-8(3)11-10(13)12(9)4;1-2;/h7H,5-6H2,1-4H3,(H,11,13);1-2H3;1H
InChIKeyWEXNIUVEMOXLJM-UHFFFAOYSA-N
XLogP3.20
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-butyl-5-(3-methylbutyl)-1H-imidazol-2-one
CID 18384306
5-Methyl-7-(3-methylbutyl)-1,3,4,5-tetrahydro-1,3-diazepin-2-one
CID 90430083
6,7-Di(propan-2-yl)-1,3,4,5-tetrahydro-1,3-diazepin-2-one
CID 118583756
3-[1-(4,5-dimethyl-1-propan-2-yl-2,3-dihydropyrrol-3-yl)propan-2-yl]-4,5-dimethyl-1H-imidazol-2-one
CID 129095325
1,1-Dimethyl-3-(4-propan-2-ylcyclohexen-1-yl)urea
CID 129274469
3,5-dimethyl-4-octan-2-yl-1H-imidazol-2-one;ethane;molecular hydrogen
CID 144531925
3,4-dimethyl-5-propan-2-yl-1H-imidazol-2-one
CID 145369188
5-(3-methylbutyl)-3-(2-methylpropyl)-1H-imidazol-2-one
CID 150389794
4-ethyl-3-methyl-5-propan-2-yl-1H-imidazol-2-one
CID 155116175
4-ethyl-3-methyl-5-pentan-2-yl-1H-imidazol-2-one
CID 155116176
1,4-dimethyl-6-propan-2-yl-4,5,6,7,8,9-hexahydro-3H-cycloocta[d]imidazol-2-one
CID 167041476
5-methyl-3-(4-methylcyclohexen-1-yl)-1H-imidazol-2-one
CID 21822441

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-pentan-2-yl-1H-imidazol-2-one;ethane;molecular hydrogen?
The IUPAC name of 3,5-dimethyl-4-pentan-2-yl-1H-imidazol-2-one;ethane;molecular hydrogen (CID 144531427) is 3,5-dimethyl-4-pentan-2-yl-1H-imidazol-2-one;ethane;molecular hydrogen.
What is the SMILES notation for 3,5-dimethyl-4-pentan-2-yl-1H-imidazol-2-one;ethane;molecular hydrogen?
The canonical SMILES for 3,5-dimethyl-4-pentan-2-yl-1H-imidazol-2-one;ethane;molecular hydrogen is CC.CCCC(C)c1c(C)[nH]c(=O)n1C.[H][H].
What is the InChIKey of 3,5-dimethyl-4-pentan-2-yl-1H-imidazol-2-one;ethane;molecular hydrogen?
The InChIKey is WEXNIUVEMOXLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O.C2H6.H2/c1-5-6-7(2)9-8(3)11-10(13)12(9)4;1-2;/h7H,5-6H2,1-4H3,(H,11,13);1-2H3;1H.
What are the key properties of 3,5-dimethyl-4-pentan-2-yl-1H-imidazol-2-one;ethane;molecular hydrogen?
3,5-dimethyl-4-pentan-2-yl-1H-imidazol-2-one;ethane;molecular hydrogen has a molecular weight of 214.35 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-pentan-2-yl-1H-imidazol-2-one;ethane;molecular hydrogen is sourced from PubChem (CID 144531427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).