6-fluoro-7-(4-methylsulfinylphenyl)-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-ol

C17H15FN2O2S — CID 139456318

IUPAC6-fluoro-7-(4-methylsulfinylphenyl)-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-ol
SMILESCS(=O)c1ccc(-c2cc3c(cc2F)nc2n3CCC2O)cc1
InChIInChI=1S/C17H15FN2O2S/c1-23(22)11-4-2-10(3-5-11)12-8-15-14(9-13(12)18)19-17-16(21)6-7-20(15)17/h2-5,8-9,16,21H,6-7H2,1H3
InChIKeyKFRHZHMMWMBMKZ-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.02
Rot. Bonds2

About 6-fluoro-7-(4-methylsulfinylphenyl)-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-ol

6-fluoro-7-(4-methylsulfinylphenyl)-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-ol (PubChem CID 139456318) has the molecular formula C17H15FN2O2S and a molecular weight of 330.38 g/mol. Its IUPAC name is 6-fluoro-7-(4-methylsulfinylphenyl)-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-ol.

Molecular Properties

Compound Name6-fluoro-7-(4-methylsulfinylphenyl)-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-ol
PubChem CID139456318
Molecular FormulaC17H15FN2O2S
Molecular Weight330.38 g/mol
Exact Mass330.08
IUPAC Name6-fluoro-7-(4-methylsulfinylphenyl)-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-ol
SMILESCS(=O)c1ccc(-c2cc3c(cc2F)nc2n3CCC2O)cc1
InChIInChI=1S/C17H15FN2O2S/c1-23(22)11-4-2-10(3-5-11)12-8-15-14(9-13(12)18)19-17-16(21)6-7-20(15)17/h2-5,8-9,16,21H,6-7H2,1H3
InChIKeyKFRHZHMMWMBMKZ-UHFFFAOYSA-N
XLogP3.02
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-fluoro-7-(4-methylsulfinylphenyl)-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-ol 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

(3R)-6-fluoro-7-[2-(3-fluorooxetan-3-yl)pyrimidin-5-yl]-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-ol
CID 134387325
7-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-4-ol
CID 115022614
3,6-difluoro-7-[2-(3-fluorooxetan-3-yl)pyrimidin-5-yl]-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole
CID 134387326
(3R)-3-hydroxy-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
CID 776133
5-(6-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl)-N-methylpyridine-2-carboxamide
CID 155131889
(3R,3aR,6R,6aR)-6-[6-fluoro-5-[4-(4-methylsulfinylphenyl)phenyl]-1-(oxan-2-yl)pyrrolo[3,2-b]pyridin-2-yl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 130378297
6-fluoro-7-[6-(methylsulfanylmethyl)-3-pyridinyl]-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole
CID 139456237
4-chloro-3-(4-methylsulfinylphenyl)benzoic acid
CID 68553754
5-methoxy-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-ol
CID 115023393
(1S,3R)-6-fluoro-7-[2-(4-fluorooxan-4-yl)pyrimidin-5-yl]-1-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-ol
CID 134387336
7-chloro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-amine
CID 115025603
2-chloro-1-fluoro-4-methylsulfinylbenzene
CID 130622435

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7-(4-methylsulfinylphenyl)-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-ol?
The IUPAC name of 6-fluoro-7-(4-methylsulfinylphenyl)-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-ol (CID 139456318) is 6-fluoro-7-(4-methylsulfinylphenyl)-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-ol.
What is the SMILES notation for 6-fluoro-7-(4-methylsulfinylphenyl)-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-ol?
The canonical SMILES for 6-fluoro-7-(4-methylsulfinylphenyl)-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-ol is CS(=O)c1ccc(-c2cc3c(cc2F)nc2n3CCC2O)cc1.
What is the InChIKey of 6-fluoro-7-(4-methylsulfinylphenyl)-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-ol?
The InChIKey is KFRHZHMMWMBMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2S/c1-23(22)11-4-2-10(3-5-11)12-8-15-14(9-13(12)18)19-17-16(21)6-7-20(15)17/h2-5,8-9,16,21H,6-7H2,1H3.
What are the key properties of 6-fluoro-7-(4-methylsulfinylphenyl)-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-ol?
6-fluoro-7-(4-methylsulfinylphenyl)-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-ol has a molecular weight of 330.38 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-7-(4-methylsulfinylphenyl)-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-ol is sourced from PubChem (CID 139456318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).