2-(4-fluorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-3-(2-methylsulfonylpyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole

C26H25FN4O4S — CID 71132600

IUPAC2-(4-fluorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-3-(2-methylsulfonylpyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SMILESCOc1ccc(COCC2CCc3nc(-c4ccc(F)cc4)c(-c4ccnc(S(C)(=O)=O)n4)n32)cc1
InChIInChI=1S/C26H25FN4O4S/c1-34-21-10-3-17(4-11-21)15-35-16-20-9-12-23-30-24(18-5-7-19(27)8-6-18)25(31(20)23)22-13-14-28-26(29-22)36(2,32)33/h3-8,10-11,13-14,20H,9,12,15-16H2,1-2H3
InChIKeyBMHZJRCTRBVONW-UHFFFAOYSA-N
MW508.58 g/mol
LogP4.26
Rot. Bonds8

About 2-(4-fluorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-3-(2-methylsulfonylpyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole

2-(4-fluorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-3-(2-methylsulfonylpyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (PubChem CID 71132600) has the molecular formula C26H25FN4O4S and a molecular weight of 508.58 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-3-(2-methylsulfonylpyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-3-(2-methylsulfonylpyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
PubChem CID71132600
Molecular FormulaC26H25FN4O4S
Molecular Weight508.58 g/mol
Exact Mass508.16
IUPAC Name2-(4-fluorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-3-(2-methylsulfonylpyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SMILESCOc1ccc(COCC2CCc3nc(-c4ccc(F)cc4)c(-c4ccnc(S(C)(=O)=O)n4)n32)cc1
InChIInChI=1S/C26H25FN4O4S/c1-34-21-10-3-17(4-11-21)15-35-16-20-9-12-23-30-24(18-5-7-19(27)8-6-18)25(31(20)23)22-13-14-28-26(29-22)36(2,32)33/h3-8,10-11,13-14,20H,9,12,15-16H2,1-2H3
InChIKeyBMHZJRCTRBVONW-UHFFFAOYSA-N
XLogP4.26
TPSA96.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.58
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-(4-fluorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-3-(2-methylsulfonylpyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-3-(2-methylsulfonylpyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The IUPAC name of 2-(4-fluorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-3-(2-methylsulfonylpyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (CID 71132600) is 2-(4-fluorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-3-(2-methylsulfonylpyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.
What is the SMILES notation for 2-(4-fluorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-3-(2-methylsulfonylpyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The canonical SMILES for 2-(4-fluorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-3-(2-methylsulfonylpyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is COc1ccc(COCC2CCc3nc(-c4ccc(F)cc4)c(-c4ccnc(S(C)(=O)=O)n4)n32)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-3-(2-methylsulfonylpyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The InChIKey is BMHZJRCTRBVONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O4S/c1-34-21-10-3-17(4-11-21)15-35-16-20-9-12-23-30-24(18-5-7-19(27)8-6-18)25(31(20)23)22-13-14-28-26(29-22)36(2,32)33/h3-8,10-11,13-14,20H,9,12,15-16H2,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-3-(2-methylsulfonylpyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
2-(4-fluorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-3-(2-methylsulfonylpyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole has a molecular weight of 508.58 g/mol, XLogP of 4.26, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-[(4-methoxyphenyl)methoxymethyl]-3-(2-methylsulfonylpyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is sourced from PubChem (CID 71132600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).