azetidin-1-yl-(2',3'-dimethylspiro[1,2-dihydroindene-3,8'-6,7-dihydropyrano[2,3-e]benzimidazole]-5'-yl)methanone

C24H25N3O2 — CID 24998605

IUPACazetidin-1-yl-(2',3'-dimethylspiro[1,2-dihydroindene-3,8'-6,7-dihydropyrano[2,3-e]benzimidazole]-5'-yl)methanone
SMILESCc1nc2c3c(c(C(=O)N4CCC4)cc2n1C)CCC1(CCc2ccccc21)O3
InChIInChI=1S/C24H25N3O2/c1-15-25-21-20(26(15)2)14-18(23(28)27-12-5-13-27)17-9-11-24(29-22(17)21)10-8-16-6-3-4-7-19(16)24/h3-4,6-7,14H,5,8-13H2,1-2H3
InChIKeyZYYXXUCESPEVHV-UHFFFAOYSA-N
MW387.48 g/mol
LogP3.89
Rot. Bonds1

About azetidin-1-yl-(2',3'-dimethylspiro[1,2-dihydroindene-3,8'-6,7-dihydropyrano[2,3-e]benzimidazole]-5'-yl)methanone

azetidin-1-yl-(2',3'-dimethylspiro[1,2-dihydroindene-3,8'-6,7-dihydropyrano[2,3-e]benzimidazole]-5'-yl)methanone (PubChem CID 24998605) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is azetidin-1-yl-(2',3'-dimethylspiro[1,2-dihydroindene-3,8'-6,7-dihydropyrano[2,3-e]benzimidazole]-5'-yl)methanone.

Molecular Properties

Compound Nameazetidin-1-yl-(2',3'-dimethylspiro[1,2-dihydroindene-3,8'-6,7-dihydropyrano[2,3-e]benzimidazole]-5'-yl)methanone
PubChem CID24998605
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Nameazetidin-1-yl-(2',3'-dimethylspiro[1,2-dihydroindene-3,8'-6,7-dihydropyrano[2,3-e]benzimidazole]-5'-yl)methanone
SMILESCc1nc2c3c(c(C(=O)N4CCC4)cc2n1C)CCC1(CCc2ccccc21)O3
InChIInChI=1S/C24H25N3O2/c1-15-25-21-20(26(15)2)14-18(23(28)27-12-5-13-27)17-9-11-24(29-22(17)21)10-8-16-6-3-4-7-19(16)24/h3-4,6-7,14H,5,8-13H2,1-2H3
InChIKeyZYYXXUCESPEVHV-UHFFFAOYSA-N
XLogP3.89
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

azetidin-1-yl-[8-methoxy-2,3-dimethyl-8-(2-methylphenyl)-6,7-dihydropyrano[2,3-e]benzimidazol-5-yl]methanone
CID 69316914
5-fluoro-N,N,2',3'-tetramethylspiro[1,2-dihydroindene-3,8'-6,7-dihydropyrano[2,3-e]benzimidazole]-5'-carboxamide
CID 24997968
6-chloro-N,N,2',3'-tetramethylspiro[1,2-dihydroindene-3,8'-6,7-dihydropyrano[2,3-e]benzimidazole]-5'-carboxamide
CID 24998281
azetidin-1-yl-[(8S)-2,3-dimethyl-8-[2-(trifluoromethyl)phenyl]-7,8-dihydro-6H-pyrano[2,3-e]benzimidazol-5-yl]methanone
CID 15603980
N-(2-ethoxyethyl)-2',3'-dimethylspiro[1,3-dihydroindene-2,8'-6,7-dihydropyrano[2,3-e]benzimidazole]-5'-carboxamide
CID 25000841
[(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',3'-trimethylspiro[1,3-dihydroindene-2,8'-7,9-dihydro-6H-imidazo[4,5-h]quinoline]-5'-carboxamide
CID 11983211
2,3-dimethyl-8-phenyl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carbothioic S-acid
CID 87846358
ethyl 2,3-dimethyl-8-phenyl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxylate
CID 69135072
[4-(1,2-dimethylbenzimidazole-5-carbonyl)piperazin-1-yl]-phenylmethanone
CID 110802064
acetonitrile;1-[4-(2'-ethoxyspiro[2,3-dihydro-1H-naphthalene-4,7'-5,6-dihydropyrano[2,3-d]pyrimidine]-4'-yl)piperazin-1-yl]prop-2-en-1-one;1-methylpyrrolidine
CID 163374786
(8S)-N,2,3-trimethyl-8-(2-propan-2-ylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide
CID 15603116

Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-(2',3'-dimethylspiro[1,2-dihydroindene-3,8'-6,7-dihydropyrano[2,3-e]benzimidazole]-5'-yl)methanone?
The IUPAC name of azetidin-1-yl-(2',3'-dimethylspiro[1,2-dihydroindene-3,8'-6,7-dihydropyrano[2,3-e]benzimidazole]-5'-yl)methanone (CID 24998605) is azetidin-1-yl-(2',3'-dimethylspiro[1,2-dihydroindene-3,8'-6,7-dihydropyrano[2,3-e]benzimidazole]-5'-yl)methanone.
What is the SMILES notation for azetidin-1-yl-(2',3'-dimethylspiro[1,2-dihydroindene-3,8'-6,7-dihydropyrano[2,3-e]benzimidazole]-5'-yl)methanone?
The canonical SMILES for azetidin-1-yl-(2',3'-dimethylspiro[1,2-dihydroindene-3,8'-6,7-dihydropyrano[2,3-e]benzimidazole]-5'-yl)methanone is Cc1nc2c3c(c(C(=O)N4CCC4)cc2n1C)CCC1(CCc2ccccc21)O3.
What is the InChIKey of azetidin-1-yl-(2',3'-dimethylspiro[1,2-dihydroindene-3,8'-6,7-dihydropyrano[2,3-e]benzimidazole]-5'-yl)methanone?
The InChIKey is ZYYXXUCESPEVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-15-25-21-20(26(15)2)14-18(23(28)27-12-5-13-27)17-9-11-24(29-22(17)21)10-8-16-6-3-4-7-19(16)24/h3-4,6-7,14H,5,8-13H2,1-2H3.
What are the key properties of azetidin-1-yl-(2',3'-dimethylspiro[1,2-dihydroindene-3,8'-6,7-dihydropyrano[2,3-e]benzimidazole]-5'-yl)methanone?
azetidin-1-yl-(2',3'-dimethylspiro[1,2-dihydroindene-3,8'-6,7-dihydropyrano[2,3-e]benzimidazole]-5'-yl)methanone has a molecular weight of 387.48 g/mol, XLogP of 3.89, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-(2',3'-dimethylspiro[1,2-dihydroindene-3,8'-6,7-dihydropyrano[2,3-e]benzimidazole]-5'-yl)methanone is sourced from PubChem (CID 24998605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).