1-[2-(4,5-dimethyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-(2-methylcyclohexyl)ethanone

C18H29N3O — CID 136560403

IUPAC1-[2-(4,5-dimethyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-(2-methylcyclohexyl)ethanone
SMILESCc1nc(C2CCCN2C(=O)CC2CCCCC2C)[nH]c1C
InChIInChI=1S/C18H29N3O/c1-12-7-4-5-8-15(12)11-17(22)21-10-6-9-16(21)18-19-13(2)14(3)20-18/h12,15-16H,4-11H2,1-3H3,(H,19,20)
InChIKeyWUPYTBPDLIZIQT-UHFFFAOYSA-N
MW303.45 g/mol
LogP3.91
Rot. Bonds3

About 1-[2-(4,5-dimethyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-(2-methylcyclohexyl)ethanone

1-[2-(4,5-dimethyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-(2-methylcyclohexyl)ethanone (PubChem CID 136560403) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is 1-[2-(4,5-dimethyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-(2-methylcyclohexyl)ethanone.

Molecular Properties

Compound Name1-[2-(4,5-dimethyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-(2-methylcyclohexyl)ethanone
PubChem CID136560403
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name1-[2-(4,5-dimethyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-(2-methylcyclohexyl)ethanone
SMILESCc1nc(C2CCCN2C(=O)CC2CCCCC2C)[nH]c1C
InChIInChI=1S/C18H29N3O/c1-12-7-4-5-8-15(12)11-17(22)21-10-6-9-16(21)18-19-13(2)14(3)20-18/h12,15-16H,4-11H2,1-3H3,(H,19,20)
InChIKeyWUPYTBPDLIZIQT-UHFFFAOYSA-N
XLogP3.91
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(4,5-dimethyl-1H-imidazol-2-yl)piperidin-1-yl]-[(2S)-spiro[2.2]pentan-2-yl]methanone
CID 164639281
N-({1-[(2-ethyl-4-methyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl}methyl)cyclohexanecarboxamide
CID 56706613
methyl N-[(2S)-1-[(2S,4R)-4-cyclopropyl-2-(4,5-dimethyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 58536818
5-methyl-4-[(2-oxo-4-propylpyrrolidin-1-yl)methyl]-1H-imidazole-2-carbonitrile
CID 71113075
1-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-methylpyrrolidin-1-yl]ethanone
CID 118122053
4-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-methylpyrrolidine-1-carbonyl]piperidine-1-carboximidamide
CID 118122110
1-[(2S,4S)-2-(4,5-dimethyl-1H-imidazol-2-yl)-4-methylpyrrolidin-1-yl]ethanone
CID 118122112
[4-(aminomethyl)cyclohexyl]-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-methylpyrrolidin-1-yl]methanone
CID 118122140
1-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-methylpyrrolidin-1-yl]ethanone;ethanamine;ethane;methane
CID 157606163
1-[(2S,4S)-2-(4,5-dimethyl-1H-imidazol-2-yl)-4-methylpyrrolidin-1-yl]ethanone;ethane;methane
CID 159510801
1-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-methylpyrrolidin-1-yl]ethanone;ethane;methane
CID 159510802
1-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-methylpyrrolidin-1-yl]ethanone;ethane
CID 159776293

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4,5-dimethyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-(2-methylcyclohexyl)ethanone?
The IUPAC name of 1-[2-(4,5-dimethyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-(2-methylcyclohexyl)ethanone (CID 136560403) is 1-[2-(4,5-dimethyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-(2-methylcyclohexyl)ethanone.
What is the SMILES notation for 1-[2-(4,5-dimethyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-(2-methylcyclohexyl)ethanone?
The canonical SMILES for 1-[2-(4,5-dimethyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-(2-methylcyclohexyl)ethanone is Cc1nc(C2CCCN2C(=O)CC2CCCCC2C)[nH]c1C.
What is the InChIKey of 1-[2-(4,5-dimethyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-(2-methylcyclohexyl)ethanone?
The InChIKey is WUPYTBPDLIZIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-12-7-4-5-8-15(12)11-17(22)21-10-6-9-16(21)18-19-13(2)14(3)20-18/h12,15-16H,4-11H2,1-3H3,(H,19,20).
What are the key properties of 1-[2-(4,5-dimethyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-(2-methylcyclohexyl)ethanone?
1-[2-(4,5-dimethyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-(2-methylcyclohexyl)ethanone has a molecular weight of 303.45 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4,5-dimethyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-(2-methylcyclohexyl)ethanone is sourced from PubChem (CID 136560403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).