1-[2-(2-hydroxy-5-methylcyclohexyl)pyrrolidin-1-yl]-2-imidazol-1-ylethanone

C16H25N3O2 — CID 136540092

IUPAC1-[2-(2-hydroxy-5-methylcyclohexyl)pyrrolidin-1-yl]-2-imidazol-1-ylethanone
SMILESCC1CCC(O)C(C2CCCN2C(=O)Cn2ccnc2)C1
InChIInChI=1S/C16H25N3O2/c1-12-4-5-15(20)13(9-12)14-3-2-7-19(14)16(21)10-18-8-6-17-11-18/h6,8,11-15,20H,2-5,7,9-10H2,1H3
InChIKeyYMZYQVYECNOBNM-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.67
Rot. Bonds3

About 1-[2-(2-hydroxy-5-methylcyclohexyl)pyrrolidin-1-yl]-2-imidazol-1-ylethanone

1-[2-(2-hydroxy-5-methylcyclohexyl)pyrrolidin-1-yl]-2-imidazol-1-ylethanone (PubChem CID 136540092) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-[2-(2-hydroxy-5-methylcyclohexyl)pyrrolidin-1-yl]-2-imidazol-1-ylethanone.

Molecular Properties

Compound Name1-[2-(2-hydroxy-5-methylcyclohexyl)pyrrolidin-1-yl]-2-imidazol-1-ylethanone
PubChem CID136540092
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name1-[2-(2-hydroxy-5-methylcyclohexyl)pyrrolidin-1-yl]-2-imidazol-1-ylethanone
SMILESCC1CCC(O)C(C2CCCN2C(=O)Cn2ccnc2)C1
InChIInChI=1S/C16H25N3O2/c1-12-4-5-15(20)13(9-12)14-3-2-7-19(14)16(21)10-18-8-6-17-11-18/h6,8,11-15,20H,2-5,7,9-10H2,1H3
InChIKeyYMZYQVYECNOBNM-UHFFFAOYSA-N
XLogP1.67
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(2S)-2-[(1R,2S,5R)-2-hydroxy-5-methylcyclohexyl]pyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 125141149
1-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-2-imidazol-1-ylethanone
CID 70774951
(2R)-2-[(1S,2R,5R)-2-hydroxy-5-methylcyclohexyl]-N-[2-(methylsulfamoyl)ethyl]pyrrolidine-1-carboxamide
CID 124844803
(3S,8R)-9-(2-imidazol-1-ylacetyl)-16-propyl-2-oxa-9,16-diazatricyclo[16.4.0.03,8]docosa-1(22),18,20-trien-17-one
CID 133078301
1-[2-(2-hydroxycyclohexyl)piperidin-1-yl]butan-1-one
CID 79553643
1-(4-ethylpiperazin-1-yl)-2-imidazol-1-ylethanone
CID 110849987
1-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-imidazol-1-ylethanone
CID 126470110
2-[1-(2-imidazol-1-ylacetyl)pyrrolidin-2-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 136881461
1-(3-ethenylpiperidin-1-yl)-2-imidazol-1-ylethanone
CID 144507524
2-(2-hydroxy-5-methylcyclohexyl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrrolidine-1-carboxamide
CID 136540150
(2R)-N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-[(1S,2R,5R)-2-hydroxy-5-methylcyclohexyl]pyrrolidine-1-carboxamide
CID 124739584
5-[(2S)-1-(2-imidazol-1-ylacetyl)piperidin-2-yl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 125006285

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxy-5-methylcyclohexyl)pyrrolidin-1-yl]-2-imidazol-1-ylethanone?
The IUPAC name of 1-[2-(2-hydroxy-5-methylcyclohexyl)pyrrolidin-1-yl]-2-imidazol-1-ylethanone (CID 136540092) is 1-[2-(2-hydroxy-5-methylcyclohexyl)pyrrolidin-1-yl]-2-imidazol-1-ylethanone.
What is the SMILES notation for 1-[2-(2-hydroxy-5-methylcyclohexyl)pyrrolidin-1-yl]-2-imidazol-1-ylethanone?
The canonical SMILES for 1-[2-(2-hydroxy-5-methylcyclohexyl)pyrrolidin-1-yl]-2-imidazol-1-ylethanone is CC1CCC(O)C(C2CCCN2C(=O)Cn2ccnc2)C1.
What is the InChIKey of 1-[2-(2-hydroxy-5-methylcyclohexyl)pyrrolidin-1-yl]-2-imidazol-1-ylethanone?
The InChIKey is YMZYQVYECNOBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12-4-5-15(20)13(9-12)14-3-2-7-19(14)16(21)10-18-8-6-17-11-18/h6,8,11-15,20H,2-5,7,9-10H2,1H3.
What are the key properties of 1-[2-(2-hydroxy-5-methylcyclohexyl)pyrrolidin-1-yl]-2-imidazol-1-ylethanone?
1-[2-(2-hydroxy-5-methylcyclohexyl)pyrrolidin-1-yl]-2-imidazol-1-ylethanone has a molecular weight of 291.39 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxy-5-methylcyclohexyl)pyrrolidin-1-yl]-2-imidazol-1-ylethanone is sourced from PubChem (CID 136540092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).