6-chloro-N,N,2',3'-tetramethylspiro[1,2-dihydroindene-3,8'-6,7-dihydropyrano[2,3-e]benzimidazole]-5'-carboxamide

C23H24ClN3O2 — CID 24998281

IUPAC6-chloro-N,N,2',3'-tetramethylspiro[1,2-dihydroindene-3,8'-6,7-dihydropyrano[2,3-e]benzimidazole]-5'-carboxamide
SMILESCc1nc2c3c(c(C(=O)N(C)C)cc2n1C)CCC1(CCc2cc(Cl)ccc21)O3
InChIInChI=1S/C23H24ClN3O2/c1-13-25-20-19(27(13)4)12-17(22(28)26(2)3)16-8-10-23(29-21(16)20)9-7-14-11-15(24)5-6-18(14)23/h5-6,11-12H,7-10H2,1-4H3
InChIKeyABUPERYSQXIXQP-UHFFFAOYSA-N
MW409.92 g/mol
LogP4.40
Rot. Bonds1

About 6-chloro-N,N,2',3'-tetramethylspiro[1,2-dihydroindene-3,8'-6,7-dihydropyrano[2,3-e]benzimidazole]-5'-carboxamide

6-chloro-N,N,2',3'-tetramethylspiro[1,2-dihydroindene-3,8'-6,7-dihydropyrano[2,3-e]benzimidazole]-5'-carboxamide (PubChem CID 24998281) has the molecular formula C23H24ClN3O2 and a molecular weight of 409.92 g/mol. Its IUPAC name is 6-chloro-N,N,2',3'-tetramethylspiro[1,2-dihydroindene-3,8'-6,7-dihydropyrano[2,3-e]benzimidazole]-5'-carboxamide.

Molecular Properties

Compound Name6-chloro-N,N,2',3'-tetramethylspiro[1,2-dihydroindene-3,8'-6,7-dihydropyrano[2,3-e]benzimidazole]-5'-carboxamide
PubChem CID24998281
Molecular FormulaC23H24ClN3O2
Molecular Weight409.92 g/mol
Exact Mass409.16
IUPAC Name6-chloro-N,N,2',3'-tetramethylspiro[1,2-dihydroindene-3,8'-6,7-dihydropyrano[2,3-e]benzimidazole]-5'-carboxamide
SMILESCc1nc2c3c(c(C(=O)N(C)C)cc2n1C)CCC1(CCc2cc(Cl)ccc21)O3
InChIInChI=1S/C23H24ClN3O2/c1-13-25-20-19(27(13)4)12-17(22(28)26(2)3)16-8-10-23(29-21(16)20)9-7-14-11-15(24)5-6-18(14)23/h5-6,11-12H,7-10H2,1-4H3
InChIKeyABUPERYSQXIXQP-UHFFFAOYSA-N
XLogP4.40
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.92
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N,N,2',3'-tetramethylspiro[1,2-dihydroindene-3,8'-6,7-dihydropyrano[2,3-e]benzimidazole]-5'-carboxamide?
The IUPAC name of 6-chloro-N,N,2',3'-tetramethylspiro[1,2-dihydroindene-3,8'-6,7-dihydropyrano[2,3-e]benzimidazole]-5'-carboxamide (CID 24998281) is 6-chloro-N,N,2',3'-tetramethylspiro[1,2-dihydroindene-3,8'-6,7-dihydropyrano[2,3-e]benzimidazole]-5'-carboxamide.
What is the SMILES notation for 6-chloro-N,N,2',3'-tetramethylspiro[1,2-dihydroindene-3,8'-6,7-dihydropyrano[2,3-e]benzimidazole]-5'-carboxamide?
The canonical SMILES for 6-chloro-N,N,2',3'-tetramethylspiro[1,2-dihydroindene-3,8'-6,7-dihydropyrano[2,3-e]benzimidazole]-5'-carboxamide is Cc1nc2c3c(c(C(=O)N(C)C)cc2n1C)CCC1(CCc2cc(Cl)ccc21)O3.
What is the InChIKey of 6-chloro-N,N,2',3'-tetramethylspiro[1,2-dihydroindene-3,8'-6,7-dihydropyrano[2,3-e]benzimidazole]-5'-carboxamide?
The InChIKey is ABUPERYSQXIXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O2/c1-13-25-20-19(27(13)4)12-17(22(28)26(2)3)16-8-10-23(29-21(16)20)9-7-14-11-15(24)5-6-18(14)23/h5-6,11-12H,7-10H2,1-4H3.
What are the key properties of 6-chloro-N,N,2',3'-tetramethylspiro[1,2-dihydroindene-3,8'-6,7-dihydropyrano[2,3-e]benzimidazole]-5'-carboxamide?
6-chloro-N,N,2',3'-tetramethylspiro[1,2-dihydroindene-3,8'-6,7-dihydropyrano[2,3-e]benzimidazole]-5'-carboxamide has a molecular weight of 409.92 g/mol, XLogP of 4.40, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N,N,2',3'-tetramethylspiro[1,2-dihydroindene-3,8'-6,7-dihydropyrano[2,3-e]benzimidazole]-5'-carboxamide is sourced from PubChem (CID 24998281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).