1-[(8S)-8-(2-fluorophenyl)-2-methyl-3,6,7,8-tetrahydropyrano[2,3-e]benzimidazol-5-yl]azetidin-2-one

C20H18FN3O2 — CID 71044724

IUPAC1-[(8S)-8-(2-fluorophenyl)-2-methyl-3,6,7,8-tetrahydropyrano[2,3-e]benzimidazol-5-yl]azetidin-2-one
SMILESCc1nc2c3c(c(N4CCC4=O)cc2[nH]1)CC[C@@H](c1ccccc1F)O3
InChIInChI=1S/C20H18FN3O2/c1-11-22-15-10-16(24-9-8-18(24)25)13-6-7-17(26-20(13)19(15)23-11)12-4-2-3-5-14(12)21/h2-5,10,17H,6-9H2,1H3,(H,22,23)/t17-/m0/s1
InChIKeyGOVGGLLUTPQJBD-KRWDZBQOSA-N
MW351.38 g/mol
LogP3.81
Rot. Bonds2

About 1-[(8S)-8-(2-fluorophenyl)-2-methyl-3,6,7,8-tetrahydropyrano[2,3-e]benzimidazol-5-yl]azetidin-2-one

1-[(8S)-8-(2-fluorophenyl)-2-methyl-3,6,7,8-tetrahydropyrano[2,3-e]benzimidazol-5-yl]azetidin-2-one (PubChem CID 71044724) has the molecular formula C20H18FN3O2 and a molecular weight of 351.38 g/mol. Its IUPAC name is 1-[(8S)-8-(2-fluorophenyl)-2-methyl-3,6,7,8-tetrahydropyrano[2,3-e]benzimidazol-5-yl]azetidin-2-one.

Molecular Properties

Compound Name1-[(8S)-8-(2-fluorophenyl)-2-methyl-3,6,7,8-tetrahydropyrano[2,3-e]benzimidazol-5-yl]azetidin-2-one
PubChem CID71044724
Molecular FormulaC20H18FN3O2
Molecular Weight351.38 g/mol
Exact Mass351.14
IUPAC Name1-[(8S)-8-(2-fluorophenyl)-2-methyl-3,6,7,8-tetrahydropyrano[2,3-e]benzimidazol-5-yl]azetidin-2-one
SMILESCc1nc2c3c(c(N4CCC4=O)cc2[nH]1)CC[C@@H](c1ccccc1F)O3
InChIInChI=1S/C20H18FN3O2/c1-11-22-15-10-16(24-9-8-18(24)25)13-6-7-17(26-20(13)19(15)23-11)12-4-2-3-5-14(12)21/h2-5,10,17H,6-9H2,1H3,(H,22,23)/t17-/m0/s1
InChIKeyGOVGGLLUTPQJBD-KRWDZBQOSA-N
XLogP3.81
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(8S)-8-(2-fluorophenyl)-2-methyl-3,6,7,8-tetrahydropyrano[2,3-e]benzimidazol-5-yl]azetidin-2-one 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 1-[(8S)-8-(2-fluorophenyl)-2-methyl-3,6,7,8-tetrahydropyrano[2,3-e]benzimidazol-5-yl]azetidin-2-one?
The IUPAC name of 1-[(8S)-8-(2-fluorophenyl)-2-methyl-3,6,7,8-tetrahydropyrano[2,3-e]benzimidazol-5-yl]azetidin-2-one (CID 71044724) is 1-[(8S)-8-(2-fluorophenyl)-2-methyl-3,6,7,8-tetrahydropyrano[2,3-e]benzimidazol-5-yl]azetidin-2-one.
What is the SMILES notation for 1-[(8S)-8-(2-fluorophenyl)-2-methyl-3,6,7,8-tetrahydropyrano[2,3-e]benzimidazol-5-yl]azetidin-2-one?
The canonical SMILES for 1-[(8S)-8-(2-fluorophenyl)-2-methyl-3,6,7,8-tetrahydropyrano[2,3-e]benzimidazol-5-yl]azetidin-2-one is Cc1nc2c3c(c(N4CCC4=O)cc2[nH]1)CC[C@@H](c1ccccc1F)O3.
What is the InChIKey of 1-[(8S)-8-(2-fluorophenyl)-2-methyl-3,6,7,8-tetrahydropyrano[2,3-e]benzimidazol-5-yl]azetidin-2-one?
The InChIKey is GOVGGLLUTPQJBD-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H18FN3O2/c1-11-22-15-10-16(24-9-8-18(24)25)13-6-7-17(26-20(13)19(15)23-11)12-4-2-3-5-14(12)21/h2-5,10,17H,6-9H2,1H3,(H,22,23)/t17-/m0/s1.
What are the key properties of 1-[(8S)-8-(2-fluorophenyl)-2-methyl-3,6,7,8-tetrahydropyrano[2,3-e]benzimidazol-5-yl]azetidin-2-one?
1-[(8S)-8-(2-fluorophenyl)-2-methyl-3,6,7,8-tetrahydropyrano[2,3-e]benzimidazol-5-yl]azetidin-2-one has a molecular weight of 351.38 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(8S)-8-(2-fluorophenyl)-2-methyl-3,6,7,8-tetrahydropyrano[2,3-e]benzimidazol-5-yl]azetidin-2-one is sourced from PubChem (CID 71044724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).