azetidin-1-yl-[8-methoxy-2,3-dimethyl-8-(2-methylphenyl)-6,7-dihydropyrano[2,3-e]benzimidazol-5-yl]methanone

C24H27N3O3 — CID 69316914

IUPACazetidin-1-yl-[8-methoxy-2,3-dimethyl-8-(2-methylphenyl)-6,7-dihydropyrano[2,3-e]benzimidazol-5-yl]methanone
SMILESCOC1(c2ccccc2C)CCc2c(C(=O)N3CCC3)cc3c(nc(C)n3C)c2O1
InChIInChI=1S/C24H27N3O3/c1-15-8-5-6-9-19(15)24(29-4)11-10-17-18(23(28)27-12-7-13-27)14-20-21(22(17)30-24)25-16(2)26(20)3/h5-6,8-9,14H,7,10-13H2,1-4H3
InChIKeyVSUWFLJUPGXSQB-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.86
Rot. Bonds3

About azetidin-1-yl-[8-methoxy-2,3-dimethyl-8-(2-methylphenyl)-6,7-dihydropyrano[2,3-e]benzimidazol-5-yl]methanone

azetidin-1-yl-[8-methoxy-2,3-dimethyl-8-(2-methylphenyl)-6,7-dihydropyrano[2,3-e]benzimidazol-5-yl]methanone (PubChem CID 69316914) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is azetidin-1-yl-[8-methoxy-2,3-dimethyl-8-(2-methylphenyl)-6,7-dihydropyrano[2,3-e]benzimidazol-5-yl]methanone.

Molecular Properties

Compound Nameazetidin-1-yl-[8-methoxy-2,3-dimethyl-8-(2-methylphenyl)-6,7-dihydropyrano[2,3-e]benzimidazol-5-yl]methanone
PubChem CID69316914
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Nameazetidin-1-yl-[8-methoxy-2,3-dimethyl-8-(2-methylphenyl)-6,7-dihydropyrano[2,3-e]benzimidazol-5-yl]methanone
SMILESCOC1(c2ccccc2C)CCc2c(C(=O)N3CCC3)cc3c(nc(C)n3C)c2O1
InChIInChI=1S/C24H27N3O3/c1-15-8-5-6-9-19(15)24(29-4)11-10-17-18(23(28)27-12-7-13-27)14-20-21(22(17)30-24)25-16(2)26(20)3/h5-6,8-9,14H,7,10-13H2,1-4H3
InChIKeyVSUWFLJUPGXSQB-UHFFFAOYSA-N
XLogP3.86
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

azetidin-1-yl-(2',3'-dimethylspiro[1,2-dihydroindene-3,8'-6,7-dihydropyrano[2,3-e]benzimidazole]-5'-yl)methanone
CID 24998605
[8-methoxy-2,3-dimethyl-8-(2-methylphenyl)-6,7-dihydropyrano[2,3-e]benzimidazol-5-yl]methanol
CID 46223352
[(8S)-2,3-dimethyl-8-(2-methylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazol-5-yl]-(3-methoxyazetidin-1-yl)methanone
CID 24996827
N-(2-ethoxyethyl)-2',3'-dimethylspiro[1,3-dihydroindene-2,8'-6,7-dihydropyrano[2,3-e]benzimidazole]-5'-carboxamide
CID 25000841
N,2',3'-trimethylspiro[1,3-dihydroindene-2,8'-7,9-dihydro-6H-imidazo[4,5-h]quinoline]-5'-carboxamide
CID 11983211
azepan-1-yl-(2-methylphenyl)methanone
CID 4616576
5-(azetidine-1-carbonyl)-2,3-dimethylimidazole-4-carboxylic acid
CID 71279309
[4-(2-methylphenoxy)-2-phenylpyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 42670223
[4-(1,2-dimethylbenzimidazole-5-carbonyl)piperazin-1-yl]-phenylmethanone
CID 110802064
(8S)-N,2,3-trimethyl-8-naphthalen-1-yl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide
CID 15603322
[4-(2,5-dimethoxy-4-methylbenzoyl)piperazin-1-yl]-phenylmethanone
CID 110802050
(2-methylphenyl)-[4-(3,4,5-trihydroxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 108545755

Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-[8-methoxy-2,3-dimethyl-8-(2-methylphenyl)-6,7-dihydropyrano[2,3-e]benzimidazol-5-yl]methanone?
The IUPAC name of azetidin-1-yl-[8-methoxy-2,3-dimethyl-8-(2-methylphenyl)-6,7-dihydropyrano[2,3-e]benzimidazol-5-yl]methanone (CID 69316914) is azetidin-1-yl-[8-methoxy-2,3-dimethyl-8-(2-methylphenyl)-6,7-dihydropyrano[2,3-e]benzimidazol-5-yl]methanone.
What is the SMILES notation for azetidin-1-yl-[8-methoxy-2,3-dimethyl-8-(2-methylphenyl)-6,7-dihydropyrano[2,3-e]benzimidazol-5-yl]methanone?
The canonical SMILES for azetidin-1-yl-[8-methoxy-2,3-dimethyl-8-(2-methylphenyl)-6,7-dihydropyrano[2,3-e]benzimidazol-5-yl]methanone is COC1(c2ccccc2C)CCc2c(C(=O)N3CCC3)cc3c(nc(C)n3C)c2O1.
What is the InChIKey of azetidin-1-yl-[8-methoxy-2,3-dimethyl-8-(2-methylphenyl)-6,7-dihydropyrano[2,3-e]benzimidazol-5-yl]methanone?
The InChIKey is VSUWFLJUPGXSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-15-8-5-6-9-19(15)24(29-4)11-10-17-18(23(28)27-12-7-13-27)14-20-21(22(17)30-24)25-16(2)26(20)3/h5-6,8-9,14H,7,10-13H2,1-4H3.
What are the key properties of azetidin-1-yl-[8-methoxy-2,3-dimethyl-8-(2-methylphenyl)-6,7-dihydropyrano[2,3-e]benzimidazol-5-yl]methanone?
azetidin-1-yl-[8-methoxy-2,3-dimethyl-8-(2-methylphenyl)-6,7-dihydropyrano[2,3-e]benzimidazol-5-yl]methanone has a molecular weight of 405.50 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-[8-methoxy-2,3-dimethyl-8-(2-methylphenyl)-6,7-dihydropyrano[2,3-e]benzimidazol-5-yl]methanone is sourced from PubChem (CID 69316914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).