(1R)-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)-1-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]ethanol

C26H29N3O3S — CID 130330951

IUPAC(1R)-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)-1-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]ethanol
SMILESCC1=C(c2ccccc2)C(C[C@@H](O)C2CCCN2S(=O)(=O)c2ccc(C)cc2)n2cncc21
InChIInChI=1S/C26H29N3O3S/c1-18-10-12-21(13-11-18)33(31,32)29-14-6-9-22(29)25(30)15-23-26(20-7-4-3-5-8-20)19(2)24-16-27-17-28(23)24/h3-5,7-8,10-13,16-17,22-23,25,30H,6,9,14-15H2,1-2H3/t22?,23?,25-/m1/s1
InChIKeyKRIGBHPFHJLHIO-OOEPIQFGSA-N
MW463.60 g/mol
LogP4.28
Rot. Bonds6

About (1R)-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)-1-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]ethanol

(1R)-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)-1-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]ethanol (PubChem CID 130330951) has the molecular formula C26H29N3O3S and a molecular weight of 463.60 g/mol. Its IUPAC name is (1R)-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)-1-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]ethanol.

Molecular Properties

Compound Name(1R)-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)-1-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]ethanol
PubChem CID130330951
Molecular FormulaC26H29N3O3S
Molecular Weight463.60 g/mol
Exact Mass463.19
IUPAC Name(1R)-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)-1-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]ethanol
SMILESCC1=C(c2ccccc2)C(C[C@@H](O)C2CCCN2S(=O)(=O)c2ccc(C)cc2)n2cncc21
InChIInChI=1S/C26H29N3O3S/c1-18-10-12-21(13-11-18)33(31,32)29-14-6-9-22(29)25(30)15-23-26(20-7-4-3-5-8-20)19(2)24-16-27-17-28(23)24/h3-5,7-8,10-13,16-17,22-23,25,30H,6,9,14-15H2,1-2H3/t22?,23?,25-/m1/s1
InChIKeyKRIGBHPFHJLHIO-OOEPIQFGSA-N
XLogP4.28
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.60
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1R)-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)-1-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
(R)-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-phenylmethanol
CID 11659970
(S)-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-phenylmethanol
CID 71665857
(1S)-1-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-2-nitroethanol
CID 101201550
(2R)-1-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]propan-2-ol
CID 102214953
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-[methoxy(phenyl)methyl]-1-(4-methylphenyl)sulfonylpyrrolidine
CID 101498741
(2S)-2-[(1S)-1-iodoethyl]-1-(4-methylphenyl)sulfonylpyrrolidine
CID 101191700
3-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 6925728
[(S)-[(2R)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-phenylmethyl] 2,2,2-trifluoroacetate
CID 101497880
ethane;(2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 143806899
(2S)-1-(4-methylphenyl)sulfonyl-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 39189814

Frequently Asked Questions

What is the IUPAC name of (1R)-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)-1-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]ethanol?
The IUPAC name of (1R)-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)-1-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]ethanol (CID 130330951) is (1R)-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)-1-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]ethanol.
What is the SMILES notation for (1R)-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)-1-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]ethanol?
The canonical SMILES for (1R)-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)-1-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]ethanol is CC1=C(c2ccccc2)C(C[C@@H](O)C2CCCN2S(=O)(=O)c2ccc(C)cc2)n2cncc21.
What is the InChIKey of (1R)-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)-1-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]ethanol?
The InChIKey is KRIGBHPFHJLHIO-OOEPIQFGSA-N. The full InChI is InChI=1S/C26H29N3O3S/c1-18-10-12-21(13-11-18)33(31,32)29-14-6-9-22(29)25(30)15-23-26(20-7-4-3-5-8-20)19(2)24-16-27-17-28(23)24/h3-5,7-8,10-13,16-17,22-23,25,30H,6,9,14-15H2,1-2H3/t22?,23?,25-/m1/s1.
What are the key properties of (1R)-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)-1-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]ethanol?
(1R)-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)-1-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]ethanol has a molecular weight of 463.60 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)-1-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]ethanol is sourced from PubChem (CID 130330951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).