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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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).