methyl 4-[2-(7-ethenyl-6-methyl-5H-pyrrolo[1,2-c]imidazol-5-yl)-1-hydroxyethyl]cyclohexane-1-carboxylate

C19H26N2O3 — CID 123282894

IUPACmethyl 4-[2-(7-ethenyl-6-methyl-5H-pyrrolo[1,2-c]imidazol-5-yl)-1-hydroxyethyl]cyclohexane-1-carboxylate
SMILESC=CC1=C(C)C(CC(O)C2CCC(C(=O)OC)CC2)n2cncc21
InChIInChI=1S/C19H26N2O3/c1-4-15-12(2)16(21-11-20-10-17(15)21)9-18(22)13-5-7-14(8-6-13)19(23)24-3/h4,10-11,13-14,16,18,22H,1,5-9H2,2-3H3
InChIKeyOSQQUENXBGNCIU-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.13
Rot. Bonds5

About methyl 4-[2-(7-ethenyl-6-methyl-5H-pyrrolo[1,2-c]imidazol-5-yl)-1-hydroxyethyl]cyclohexane-1-carboxylate

methyl 4-[2-(7-ethenyl-6-methyl-5H-pyrrolo[1,2-c]imidazol-5-yl)-1-hydroxyethyl]cyclohexane-1-carboxylate (PubChem CID 123282894) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is methyl 4-[2-(7-ethenyl-6-methyl-5H-pyrrolo[1,2-c]imidazol-5-yl)-1-hydroxyethyl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-(7-ethenyl-6-methyl-5H-pyrrolo[1,2-c]imidazol-5-yl)-1-hydroxyethyl]cyclohexane-1-carboxylate
PubChem CID123282894
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Namemethyl 4-[2-(7-ethenyl-6-methyl-5H-pyrrolo[1,2-c]imidazol-5-yl)-1-hydroxyethyl]cyclohexane-1-carboxylate
SMILESC=CC1=C(C)C(CC(O)C2CCC(C(=O)OC)CC2)n2cncc21
InChIInChI=1S/C19H26N2O3/c1-4-15-12(2)16(21-11-20-10-17(15)21)9-18(22)13-5-7-14(8-6-13)19(23)24-3/h4,10-11,13-14,16,18,22H,1,5-9H2,2-3H3
InChIKeyOSQQUENXBGNCIU-UHFFFAOYSA-N
XLogP3.13
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-[2-(7-ethenyl-6-methyl-5H-pyrrolo[1,2-c]imidazol-5-yl)-1-hydroxyethyl]cyclohexane-1-carboxylate with MolForge

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Related Compounds

methyl 4-[2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)acetyl]cyclohexane-1-carboxylate
CID 130300429
N-(4-hydroxycyclohexyl)-4-[1-hydroxy-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethyl]cyclohexane-1-carboxamide
CID 130300468
benzyl N-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexyl]carbamate
CID 118931223
4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexane-1-carboxylic acid;4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-N-[2-(methanesulfonamido)ethyl]cyclohexane-1-carboxamide
CID 158254324
2-(6-methyl-5H-imidazo[5,1-a]isoindol-5-yl)-1-(oxan-4-yl)ethanol
CID 145029711
[4-[1-hydroxy-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethyl]piperidin-1-yl]-phenylmethanone
CID 130300332
1-[4-(aminomethyl)cyclohexyl]-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol;N-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexyl]acetamide
CID 159456688
4-[(1R)-1-hydroxy-2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]piperidine-1-carboxylic acid
CID 118690862
tert-butyl 4-[(1R)-1-hydroxy-2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]piperidine-1-carboxylate
CID 66558721
tert-butyl 4-[(1S)-1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidine-1-carboxylate
CID 70874709
1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol;[1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl] 2-phenylacetate
CID 157186673
1-[2-[4-[(1S)-1-hydroxy-2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]piperidin-1-yl]phenyl]propan-1-one
CID 174701661

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(7-ethenyl-6-methyl-5H-pyrrolo[1,2-c]imidazol-5-yl)-1-hydroxyethyl]cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-[2-(7-ethenyl-6-methyl-5H-pyrrolo[1,2-c]imidazol-5-yl)-1-hydroxyethyl]cyclohexane-1-carboxylate (CID 123282894) is methyl 4-[2-(7-ethenyl-6-methyl-5H-pyrrolo[1,2-c]imidazol-5-yl)-1-hydroxyethyl]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-[2-(7-ethenyl-6-methyl-5H-pyrrolo[1,2-c]imidazol-5-yl)-1-hydroxyethyl]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-[2-(7-ethenyl-6-methyl-5H-pyrrolo[1,2-c]imidazol-5-yl)-1-hydroxyethyl]cyclohexane-1-carboxylate is C=CC1=C(C)C(CC(O)C2CCC(C(=O)OC)CC2)n2cncc21.
What is the InChIKey of methyl 4-[2-(7-ethenyl-6-methyl-5H-pyrrolo[1,2-c]imidazol-5-yl)-1-hydroxyethyl]cyclohexane-1-carboxylate?
The InChIKey is OSQQUENXBGNCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-4-15-12(2)16(21-11-20-10-17(15)21)9-18(22)13-5-7-14(8-6-13)19(23)24-3/h4,10-11,13-14,16,18,22H,1,5-9H2,2-3H3.
What are the key properties of methyl 4-[2-(7-ethenyl-6-methyl-5H-pyrrolo[1,2-c]imidazol-5-yl)-1-hydroxyethyl]cyclohexane-1-carboxylate?
methyl 4-[2-(7-ethenyl-6-methyl-5H-pyrrolo[1,2-c]imidazol-5-yl)-1-hydroxyethyl]cyclohexane-1-carboxylate has a molecular weight of 330.43 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(7-ethenyl-6-methyl-5H-pyrrolo[1,2-c]imidazol-5-yl)-1-hydroxyethyl]cyclohexane-1-carboxylate is sourced from PubChem (CID 123282894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).