2-[1-[2-(8-chloro-5,5-dimethylspiro[2,4,4a,10b-tetrahydropyrano[3,2-c]chromene-3,4'-piperidine]-1'-yl)ethyl]imidazol-2-yl]ethanamine

C25H35ClN4O2 — CID 155921775

IUPAC2-[1-[2-(8-chloro-5,5-dimethylspiro[2,4,4a,10b-tetrahydropyrano[3,2-c]chromene-3,4'-piperidine]-1'-yl)ethyl]imidazol-2-yl]ethanamine
SMILESCC1(C)Oc2cc(Cl)ccc2C2OCC3(CCN(CCn4ccnc4CCN)CC3)CC21
InChIInChI=1S/C25H35ClN4O2/c1-24(2)20-16-25(17-31-23(20)19-4-3-18(26)15-21(19)32-24)6-10-29(11-7-25)13-14-30-12-9-28-22(30)5-8-27/h3-4,9,12,15,20,23H,5-8,10-11,13-14,16-17,27H2,1-2H3
InChIKeyGAHYWFXDIVLVNW-UHFFFAOYSA-N
MW459.03 g/mol
LogP4.07
Rot. Bonds5

About 2-[1-[2-(8-chloro-5,5-dimethylspiro[2,4,4a,10b-tetrahydropyrano[3,2-c]chromene-3,4'-piperidine]-1'-yl)ethyl]imidazol-2-yl]ethanamine

2-[1-[2-(8-chloro-5,5-dimethylspiro[2,4,4a,10b-tetrahydropyrano[3,2-c]chromene-3,4'-piperidine]-1'-yl)ethyl]imidazol-2-yl]ethanamine (PubChem CID 155921775) has the molecular formula C25H35ClN4O2 and a molecular weight of 459.03 g/mol. Its IUPAC name is 2-[1-[2-(8-chloro-5,5-dimethylspiro[2,4,4a,10b-tetrahydropyrano[3,2-c]chromene-3,4'-piperidine]-1'-yl)ethyl]imidazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[2-(8-chloro-5,5-dimethylspiro[2,4,4a,10b-tetrahydropyrano[3,2-c]chromene-3,4'-piperidine]-1'-yl)ethyl]imidazol-2-yl]ethanamine
PubChem CID155921775
Molecular FormulaC25H35ClN4O2
Molecular Weight459.03 g/mol
Exact Mass458.24
IUPAC Name2-[1-[2-(8-chloro-5,5-dimethylspiro[2,4,4a,10b-tetrahydropyrano[3,2-c]chromene-3,4'-piperidine]-1'-yl)ethyl]imidazol-2-yl]ethanamine
SMILESCC1(C)Oc2cc(Cl)ccc2C2OCC3(CCN(CCn4ccnc4CCN)CC3)CC21
InChIInChI=1S/C25H35ClN4O2/c1-24(2)20-16-25(17-31-23(20)19-4-3-18(26)15-21(19)32-24)6-10-29(11-7-25)13-14-30-12-9-28-22(30)5-8-27/h3-4,9,12,15,20,23H,5-8,10-11,13-14,16-17,27H2,1-2H3
InChIKeyGAHYWFXDIVLVNW-UHFFFAOYSA-N
XLogP4.07
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.03
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[1-[2-(8-chloro-5,5-dimethylspiro[2,4,4a,10b-tetrahydropyrano[3,2-c]chromene-3,4'-piperidine]-1'-yl)ethyl]imidazol-2-yl]ethanamine with MolForge

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Related Compounds

US10807993, Example 39
CID 155921762
US10807993, Example 43
CID 155921764
US10807993, Example 52
CID 155921766
US10807993, Example 1
CID 139525996
US10807993, Example 18
CID 139526073
US10807993, Example 64a
CID 139526273
US10807993, Example 38
CID 149052264
US10807993, Example 49
CID 153166870
US10807993, Example 5
CID 155921737
US10807993, Example 6
CID 155921738
US10807993, Example 32
CID 155921757
US10807993, Example 36
CID 155921761

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(8-chloro-5,5-dimethylspiro[2,4,4a,10b-tetrahydropyrano[3,2-c]chromene-3,4'-piperidine]-1'-yl)ethyl]imidazol-2-yl]ethanamine?
The IUPAC name of 2-[1-[2-(8-chloro-5,5-dimethylspiro[2,4,4a,10b-tetrahydropyrano[3,2-c]chromene-3,4'-piperidine]-1'-yl)ethyl]imidazol-2-yl]ethanamine (CID 155921775) is 2-[1-[2-(8-chloro-5,5-dimethylspiro[2,4,4a,10b-tetrahydropyrano[3,2-c]chromene-3,4'-piperidine]-1'-yl)ethyl]imidazol-2-yl]ethanamine.
What is the SMILES notation for 2-[1-[2-(8-chloro-5,5-dimethylspiro[2,4,4a,10b-tetrahydropyrano[3,2-c]chromene-3,4'-piperidine]-1'-yl)ethyl]imidazol-2-yl]ethanamine?
The canonical SMILES for 2-[1-[2-(8-chloro-5,5-dimethylspiro[2,4,4a,10b-tetrahydropyrano[3,2-c]chromene-3,4'-piperidine]-1'-yl)ethyl]imidazol-2-yl]ethanamine is CC1(C)Oc2cc(Cl)ccc2C2OCC3(CCN(CCn4ccnc4CCN)CC3)CC21.
What is the InChIKey of 2-[1-[2-(8-chloro-5,5-dimethylspiro[2,4,4a,10b-tetrahydropyrano[3,2-c]chromene-3,4'-piperidine]-1'-yl)ethyl]imidazol-2-yl]ethanamine?
The InChIKey is GAHYWFXDIVLVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35ClN4O2/c1-24(2)20-16-25(17-31-23(20)19-4-3-18(26)15-21(19)32-24)6-10-29(11-7-25)13-14-30-12-9-28-22(30)5-8-27/h3-4,9,12,15,20,23H,5-8,10-11,13-14,16-17,27H2,1-2H3.
What are the key properties of 2-[1-[2-(8-chloro-5,5-dimethylspiro[2,4,4a,10b-tetrahydropyrano[3,2-c]chromene-3,4'-piperidine]-1'-yl)ethyl]imidazol-2-yl]ethanamine?
2-[1-[2-(8-chloro-5,5-dimethylspiro[2,4,4a,10b-tetrahydropyrano[3,2-c]chromene-3,4'-piperidine]-1'-yl)ethyl]imidazol-2-yl]ethanamine has a molecular weight of 459.03 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(8-chloro-5,5-dimethylspiro[2,4,4a,10b-tetrahydropyrano[3,2-c]chromene-3,4'-piperidine]-1'-yl)ethyl]imidazol-2-yl]ethanamine is sourced from PubChem (CID 155921775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).