2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)-1-[1-(3-methylsulfonylpropyl)piperidin-4-yl]ethanol

C24H33N3O3S — CID 160556621

IUPAC2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)-1-[1-(3-methylsulfonylpropyl)piperidin-4-yl]ethanol
SMILESCC1=C(c2ccccc2)C(CC(O)C2CCN(CCCS(C)(=O)=O)CC2)n2cncc21
InChIInChI=1S/C24H33N3O3S/c1-18-22-16-25-17-27(22)21(24(18)20-7-4-3-5-8-20)15-23(28)19-9-12-26(13-10-19)11-6-14-31(2,29)30/h3-5,7-8,16-17,19,21,23,28H,6,9-15H2,1-2H3
InChIKeyQYTNWLVTMCNLGZ-UHFFFAOYSA-N
MW443.61 g/mol
LogP3.27
Rot. Bonds8

About 2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)-1-[1-(3-methylsulfonylpropyl)piperidin-4-yl]ethanol

2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)-1-[1-(3-methylsulfonylpropyl)piperidin-4-yl]ethanol (PubChem CID 160556621) has the molecular formula C24H33N3O3S and a molecular weight of 443.61 g/mol. Its IUPAC name is 2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)-1-[1-(3-methylsulfonylpropyl)piperidin-4-yl]ethanol.

Molecular Properties

Compound Name2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)-1-[1-(3-methylsulfonylpropyl)piperidin-4-yl]ethanol
PubChem CID160556621
Molecular FormulaC24H33N3O3S
Molecular Weight443.61 g/mol
Exact Mass443.22
IUPAC Name2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)-1-[1-(3-methylsulfonylpropyl)piperidin-4-yl]ethanol
SMILESCC1=C(c2ccccc2)C(CC(O)C2CCN(CCCS(C)(=O)=O)CC2)n2cncc21
InChIInChI=1S/C24H33N3O3S/c1-18-22-16-25-17-27(22)21(24(18)20-7-4-3-5-8-20)15-23(28)19-9-12-26(13-10-19)11-6-14-31(2,29)30/h3-5,7-8,16-17,19,21,23,28H,6,9-15H2,1-2H3
InChIKeyQYTNWLVTMCNLGZ-UHFFFAOYSA-N
XLogP3.27
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.61
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[1-hydroxy-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethyl]piperidin-1-yl]-phenylmethanone
CID 130300332
(1R)-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)-1-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]ethanol
CID 130330951
4-hydroxy-5-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)-1-(4-methylpiperidin-1-yl)pentan-1-one
CID 130330932
1-(1-adamantyl)-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethanol
CID 130300394
2-methyl-1-[4-[2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)acetyl]piperidin-1-yl]propan-1-one
CID 130330817
2-[4-[(1S)-1-hydroxy-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]piperidin-1-yl]-1-phenylethanone
CID 66558807
4-[(1R)-1-hydroxy-2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]piperidine-1-carboxylic acid
CID 118690862
1-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3-phenylpropan-1-ol
CID 134697917
methyl 4-[2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)acetyl]cyclohexane-1-carboxylate
CID 130300429
4-[2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)acetyl]-N-phenylpiperidine-1-carboxamide
CID 130300585
(1R)-1-(1-cyclohexylpiperidin-4-yl)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethanol
CID 141349404
ethane;4-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]cyclohexan-1-ol;prop-1-ene
CID 145169302

Frequently Asked Questions

What is the IUPAC name of 2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)-1-[1-(3-methylsulfonylpropyl)piperidin-4-yl]ethanol?
The IUPAC name of 2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)-1-[1-(3-methylsulfonylpropyl)piperidin-4-yl]ethanol (CID 160556621) is 2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)-1-[1-(3-methylsulfonylpropyl)piperidin-4-yl]ethanol.
What is the SMILES notation for 2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)-1-[1-(3-methylsulfonylpropyl)piperidin-4-yl]ethanol?
The canonical SMILES for 2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)-1-[1-(3-methylsulfonylpropyl)piperidin-4-yl]ethanol is CC1=C(c2ccccc2)C(CC(O)C2CCN(CCCS(C)(=O)=O)CC2)n2cncc21.
What is the InChIKey of 2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)-1-[1-(3-methylsulfonylpropyl)piperidin-4-yl]ethanol?
The InChIKey is QYTNWLVTMCNLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O3S/c1-18-22-16-25-17-27(22)21(24(18)20-7-4-3-5-8-20)15-23(28)19-9-12-26(13-10-19)11-6-14-31(2,29)30/h3-5,7-8,16-17,19,21,23,28H,6,9-15H2,1-2H3.
What are the key properties of 2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)-1-[1-(3-methylsulfonylpropyl)piperidin-4-yl]ethanol?
2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)-1-[1-(3-methylsulfonylpropyl)piperidin-4-yl]ethanol has a molecular weight of 443.61 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)-1-[1-(3-methylsulfonylpropyl)piperidin-4-yl]ethanol is sourced from PubChem (CID 160556621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).