azetidin-1-yl-[(8S)-2,3-dimethyl-8-(2-methylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazol-5-yl]methanone

C23H25N3O2 — CID 15602911

IUPACazetidin-1-yl-[(8S)-2,3-dimethyl-8-(2-methylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazol-5-yl]methanone
SMILESCc1ccccc1[C@@H]1CCc2c(C(=O)N3CCC3)cc3c(nc(C)n3C)c2O1
InChIInChI=1S/C23H25N3O2/c1-14-7-4-5-8-16(14)20-10-9-17-18(23(27)26-11-6-12-26)13-19-21(22(17)28-20)24-15(2)25(19)3/h4-5,7-8,13,20H,6,9-12H2,1-3H3/t20-/m0/s1
InChIKeyZSYMQWFFNGCWPV-FQEVSTJZSA-N
MW375.47 g/mol
LogP4.10
Rot. Bonds2

About azetidin-1-yl-[(8S)-2,3-dimethyl-8-(2-methylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazol-5-yl]methanone

azetidin-1-yl-[(8S)-2,3-dimethyl-8-(2-methylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazol-5-yl]methanone (PubChem CID 15602911) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is azetidin-1-yl-[(8S)-2,3-dimethyl-8-(2-methylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazol-5-yl]methanone.

Molecular Properties

Compound Nameazetidin-1-yl-[(8S)-2,3-dimethyl-8-(2-methylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazol-5-yl]methanone
PubChem CID15602911
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Nameazetidin-1-yl-[(8S)-2,3-dimethyl-8-(2-methylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazol-5-yl]methanone
SMILESCc1ccccc1[C@@H]1CCc2c(C(=O)N3CCC3)cc3c(nc(C)n3C)c2O1
InChIInChI=1S/C23H25N3O2/c1-14-7-4-5-8-16(14)20-10-9-17-18(23(27)26-11-6-12-26)13-19-21(22(17)28-20)24-15(2)25(19)3/h4-5,7-8,13,20H,6,9-12H2,1-3H3/t20-/m0/s1
InChIKeyZSYMQWFFNGCWPV-FQEVSTJZSA-N
XLogP4.10
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-[(8S)-2,3-dimethyl-8-(2-methylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazol-5-yl]methanone?
The IUPAC name of azetidin-1-yl-[(8S)-2,3-dimethyl-8-(2-methylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazol-5-yl]methanone (CID 15602911) is azetidin-1-yl-[(8S)-2,3-dimethyl-8-(2-methylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazol-5-yl]methanone.
What is the SMILES notation for azetidin-1-yl-[(8S)-2,3-dimethyl-8-(2-methylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazol-5-yl]methanone?
The canonical SMILES for azetidin-1-yl-[(8S)-2,3-dimethyl-8-(2-methylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazol-5-yl]methanone is Cc1ccccc1[C@@H]1CCc2c(C(=O)N3CCC3)cc3c(nc(C)n3C)c2O1.
What is the InChIKey of azetidin-1-yl-[(8S)-2,3-dimethyl-8-(2-methylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazol-5-yl]methanone?
The InChIKey is ZSYMQWFFNGCWPV-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-14-7-4-5-8-16(14)20-10-9-17-18(23(27)26-11-6-12-26)13-19-21(22(17)28-20)24-15(2)25(19)3/h4-5,7-8,13,20H,6,9-12H2,1-3H3/t20-/m0/s1.
What are the key properties of azetidin-1-yl-[(8S)-2,3-dimethyl-8-(2-methylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazol-5-yl]methanone?
azetidin-1-yl-[(8S)-2,3-dimethyl-8-(2-methylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazol-5-yl]methanone has a molecular weight of 375.47 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-[(8S)-2,3-dimethyl-8-(2-methylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazol-5-yl]methanone is sourced from PubChem (CID 15602911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).