1-(5-hydroxy-16-methyl-15-pentacyclo[9.7.0.02,8.05,7.012,16]octadecanyl)-2-(1H-imidazol-5-yl)ethanone

C24H34N2O2 — CID 123157433

IUPAC1-(5-hydroxy-16-methyl-15-pentacyclo[9.7.0.02,8.05,7.012,16]octadecanyl)-2-(1H-imidazol-5-yl)ethanone
SMILESCC12CCC3C4CCC5(O)CC5C4CCC3C1CCC2C(=O)Cc1cnc[nH]1
InChIInChI=1S/C24H34N2O2/c1-23-8-6-15-16-7-9-24(28)11-21(24)18(16)3-2-17(15)19(23)4-5-20(23)22(27)10-14-12-25-13-26-14/h12-13,15-21,28H,2-11H2,1H3,(H,25,26)
InChIKeyIPDSOPRSKDZJFB-UHFFFAOYSA-N
MW382.55 g/mol
LogP4.15
Rot. Bonds3

About 1-(5-hydroxy-16-methyl-15-pentacyclo[9.7.0.02,8.05,7.012,16]octadecanyl)-2-(1H-imidazol-5-yl)ethanone

1-(5-hydroxy-16-methyl-15-pentacyclo[9.7.0.02,8.05,7.012,16]octadecanyl)-2-(1H-imidazol-5-yl)ethanone (PubChem CID 123157433) has the molecular formula C24H34N2O2 and a molecular weight of 382.55 g/mol. Its IUPAC name is 1-(5-hydroxy-16-methyl-15-pentacyclo[9.7.0.02,8.05,7.012,16]octadecanyl)-2-(1H-imidazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(5-hydroxy-16-methyl-15-pentacyclo[9.7.0.02,8.05,7.012,16]octadecanyl)-2-(1H-imidazol-5-yl)ethanone
PubChem CID123157433
Molecular FormulaC24H34N2O2
Molecular Weight382.55 g/mol
Exact Mass382.26
IUPAC Name1-(5-hydroxy-16-methyl-15-pentacyclo[9.7.0.02,8.05,7.012,16]octadecanyl)-2-(1H-imidazol-5-yl)ethanone
SMILESCC12CCC3C4CCC5(O)CC5C4CCC3C1CCC2C(=O)Cc1cnc[nH]1
InChIInChI=1S/C24H34N2O2/c1-23-8-6-15-16-7-9-24(28)11-21(24)18(16)3-2-17(15)19(23)4-5-20(23)22(27)10-14-12-25-13-26-14/h12-13,15-21,28H,2-11H2,1H3,(H,25,26)
InChIKeyIPDSOPRSKDZJFB-UHFFFAOYSA-N
XLogP4.15
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-13-methyl-3-(trifluoromethyl)-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-(1H-imidazol-5-yl)ethanone
CID 118965658
1-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-(difluoromethyl)-3-hydroxy-13-methyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-(1H-imidazol-5-yl)ethanone
CID 118965661
1-[(1R,2R,5S,8R,11R,12S,15S,16S)-5-hydroxy-16-methyl-15-pentacyclo[9.7.0.02,8.05,7.012,16]octadecanyl]-2-(triazolo[4,5-c]pyridin-2-yl)ethanone
CID 139393576
1-[(1R,2R,5S,8R,11R,12S,15S,16S)-5-hydroxy-16-methyl-15-pentacyclo[9.7.0.02,8.05,7.012,16]octadecanyl]-2-(triazol-1-yl)ethanone
CID 146547741
1-(5-hydroxy-16-methyl-15-pentacyclo[9.7.0.02,8.05,7.012,16]octadecanyl)-2-pyrazolo[4,3-d]pyrimidin-2-ylethanone
CID 123255411
1-(5-hydroxy-16-methyl-15-pentacyclo[9.7.0.02,8.05,7.012,16]octadecanyl)-2-(5-methylpyrazolo[5,4-c]pyridin-1-yl)ethanone
CID 123524121
2-(benzotriazol-1-yl)-1-[(1R,2R,5S,8R,11R,12S,15S,16S)-5-hydroxy-16-methyl-15-pentacyclo[9.7.0.02,8.05,7.012,16]octadecanyl]ethanone
CID 134274856
1-[(1R,2R,5S,8R,11R,12S,15S,16S)-5-hydroxy-16-methyl-15-pentacyclo[9.7.0.02,8.05,7.012,16]octadecanyl]-2-(5-methoxybenzotriazol-2-yl)ethanone
CID 146363083
1-[(1R,2R,5S,8R,11R,12S,15S,16S)-5-hydroxy-16-methyl-15-pentacyclo[9.7.0.02,8.05,7.012,16]octadecanyl]-2-(5-methoxybenzotriazol-1-yl)ethanone
CID 146363046
1-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-pyridin-2-ylethanone
CID 86296844
2-(4,5-dimethyl-1,3-oxazol-2-yl)-1-(3-hydroxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone
CID 123163354
1-[3-(difluoromethyl)-3-hydroxy-13-methyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-(1,3-oxazol-2-yl)ethanone
CID 123264888

Frequently Asked Questions

What is the IUPAC name of 1-(5-hydroxy-16-methyl-15-pentacyclo[9.7.0.02,8.05,7.012,16]octadecanyl)-2-(1H-imidazol-5-yl)ethanone?
The IUPAC name of 1-(5-hydroxy-16-methyl-15-pentacyclo[9.7.0.02,8.05,7.012,16]octadecanyl)-2-(1H-imidazol-5-yl)ethanone (CID 123157433) is 1-(5-hydroxy-16-methyl-15-pentacyclo[9.7.0.02,8.05,7.012,16]octadecanyl)-2-(1H-imidazol-5-yl)ethanone.
What is the SMILES notation for 1-(5-hydroxy-16-methyl-15-pentacyclo[9.7.0.02,8.05,7.012,16]octadecanyl)-2-(1H-imidazol-5-yl)ethanone?
The canonical SMILES for 1-(5-hydroxy-16-methyl-15-pentacyclo[9.7.0.02,8.05,7.012,16]octadecanyl)-2-(1H-imidazol-5-yl)ethanone is CC12CCC3C4CCC5(O)CC5C4CCC3C1CCC2C(=O)Cc1cnc[nH]1.
What is the InChIKey of 1-(5-hydroxy-16-methyl-15-pentacyclo[9.7.0.02,8.05,7.012,16]octadecanyl)-2-(1H-imidazol-5-yl)ethanone?
The InChIKey is IPDSOPRSKDZJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O2/c1-23-8-6-15-16-7-9-24(28)11-21(24)18(16)3-2-17(15)19(23)4-5-20(23)22(27)10-14-12-25-13-26-14/h12-13,15-21,28H,2-11H2,1H3,(H,25,26).
What are the key properties of 1-(5-hydroxy-16-methyl-15-pentacyclo[9.7.0.02,8.05,7.012,16]octadecanyl)-2-(1H-imidazol-5-yl)ethanone?
1-(5-hydroxy-16-methyl-15-pentacyclo[9.7.0.02,8.05,7.012,16]octadecanyl)-2-(1H-imidazol-5-yl)ethanone has a molecular weight of 382.55 g/mol, XLogP of 4.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxy-16-methyl-15-pentacyclo[9.7.0.02,8.05,7.012,16]octadecanyl)-2-(1H-imidazol-5-yl)ethanone is sourced from PubChem (CID 123157433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).