6-(1-methylbenzimidazol-5-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide

C22H24N4O2 — CID 135125440

IUPAC6-(1-methylbenzimidazol-5-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide
SMILESCn1cnc2cc(-c3ccc4c(c3)CCC3(CCN(C(N)=O)CC3)O4)ccc21
InChIInChI=1S/C22H24N4O2/c1-25-14-24-18-13-16(2-4-19(18)25)15-3-5-20-17(12-15)6-7-22(28-20)8-10-26(11-9-22)21(23)27/h2-5,12-14H,6-11H2,1H3,(H2,23,27)
InChIKeyFYRBKOMFWPITJD-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.48
Rot. Bonds1

About 6-(1-methylbenzimidazol-5-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide

6-(1-methylbenzimidazol-5-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide (PubChem CID 135125440) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 6-(1-methylbenzimidazol-5-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound Name6-(1-methylbenzimidazol-5-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide
PubChem CID135125440
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name6-(1-methylbenzimidazol-5-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide
SMILESCn1cnc2cc(-c3ccc4c(c3)CCC3(CCN(C(N)=O)CC3)O4)ccc21
InChIInChI=1S/C22H24N4O2/c1-25-14-24-18-13-16(2-4-19(18)25)15-3-5-20-17(12-15)6-7-22(28-20)8-10-26(11-9-22)21(23)27/h2-5,12-14H,6-11H2,1H3,(H2,23,27)
InChIKeyFYRBKOMFWPITJD-UHFFFAOYSA-N
XLogP3.48
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(1-methylbenzimidazol-5-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide?
The IUPAC name of 6-(1-methylbenzimidazol-5-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide (CID 135125440) is 6-(1-methylbenzimidazol-5-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for 6-(1-methylbenzimidazol-5-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide?
The canonical SMILES for 6-(1-methylbenzimidazol-5-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide is Cn1cnc2cc(-c3ccc4c(c3)CCC3(CCN(C(N)=O)CC3)O4)ccc21.
What is the InChIKey of 6-(1-methylbenzimidazol-5-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide?
The InChIKey is FYRBKOMFWPITJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-25-14-24-18-13-16(2-4-19(18)25)15-3-5-20-17(12-15)6-7-22(28-20)8-10-26(11-9-22)21(23)27/h2-5,12-14H,6-11H2,1H3,(H2,23,27).
What are the key properties of 6-(1-methylbenzimidazol-5-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide?
6-(1-methylbenzimidazol-5-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.48, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylbenzimidazol-5-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 135125440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).