(2S,4R)-6-(3-chlorophenyl)-5'-methyl-2-[(3R)-oxan-3-yl]spiro[2,3-dihydrochromene-4,2'-imidazole]-4'-amine

C23H24ClN3O2 — CID 67979698

IUPAC(2S,4R)-6-(3-chlorophenyl)-5'-methyl-2-[(3R)-oxan-3-yl]spiro[2,3-dihydrochromene-4,2'-imidazole]-4'-amine
SMILESCC1=N[C@]2(C[C@@H]([C@@H]3CCCOC3)Oc3ccc(-c4cccc(Cl)c4)cc32)N=C1N
InChIInChI=1S/C23H24ClN3O2/c1-14-22(25)27-23(26-14)12-21(17-5-3-9-28-13-17)29-20-8-7-16(11-19(20)23)15-4-2-6-18(24)10-15/h2,4,6-8,10-11,17,21H,3,5,9,12-13H2,1H3,(H2,25,27)/t17-,21+,23-/m1/s1
InChIKeyMWVBEWBNSOHPSD-FRGLQRNOSA-N
MW409.92 g/mol
LogP4.57
Rot. Bonds2

About (2S,4R)-6-(3-chlorophenyl)-5'-methyl-2-[(3R)-oxan-3-yl]spiro[2,3-dihydrochromene-4,2'-imidazole]-4'-amine

(2S,4R)-6-(3-chlorophenyl)-5'-methyl-2-[(3R)-oxan-3-yl]spiro[2,3-dihydrochromene-4,2'-imidazole]-4'-amine (PubChem CID 67979698) has the molecular formula C23H24ClN3O2 and a molecular weight of 409.92 g/mol. Its IUPAC name is (2S,4R)-6-(3-chlorophenyl)-5'-methyl-2-[(3R)-oxan-3-yl]spiro[2,3-dihydrochromene-4,2'-imidazole]-4'-amine.

Molecular Properties

Compound Name(2S,4R)-6-(3-chlorophenyl)-5'-methyl-2-[(3R)-oxan-3-yl]spiro[2,3-dihydrochromene-4,2'-imidazole]-4'-amine
PubChem CID67979698
Molecular FormulaC23H24ClN3O2
Molecular Weight409.92 g/mol
Exact Mass409.16
IUPAC Name(2S,4R)-6-(3-chlorophenyl)-5'-methyl-2-[(3R)-oxan-3-yl]spiro[2,3-dihydrochromene-4,2'-imidazole]-4'-amine
SMILESCC1=N[C@]2(C[C@@H]([C@@H]3CCCOC3)Oc3ccc(-c4cccc(Cl)c4)cc32)N=C1N
InChIInChI=1S/C23H24ClN3O2/c1-14-22(25)27-23(26-14)12-21(17-5-3-9-28-13-17)29-20-8-7-16(11-19(20)23)15-4-2-6-18(24)10-15/h2,4,6-8,10-11,17,21H,3,5,9,12-13H2,1H3,(H2,25,27)/t17-,21+,23-/m1/s1
InChIKeyMWVBEWBNSOHPSD-FRGLQRNOSA-N
XLogP4.57
TPSA69.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.92
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-6-(3-chlorophenyl)-5'-methyl-2-[(3R)-oxan-3-yl]spiro[2,3-dihydrochromene-4,2'-imidazole]-4'-amine?
The IUPAC name of (2S,4R)-6-(3-chlorophenyl)-5'-methyl-2-[(3R)-oxan-3-yl]spiro[2,3-dihydrochromene-4,2'-imidazole]-4'-amine (CID 67979698) is (2S,4R)-6-(3-chlorophenyl)-5'-methyl-2-[(3R)-oxan-3-yl]spiro[2,3-dihydrochromene-4,2'-imidazole]-4'-amine.
What is the SMILES notation for (2S,4R)-6-(3-chlorophenyl)-5'-methyl-2-[(3R)-oxan-3-yl]spiro[2,3-dihydrochromene-4,2'-imidazole]-4'-amine?
The canonical SMILES for (2S,4R)-6-(3-chlorophenyl)-5'-methyl-2-[(3R)-oxan-3-yl]spiro[2,3-dihydrochromene-4,2'-imidazole]-4'-amine is CC1=N[C@]2(C[C@@H]([C@@H]3CCCOC3)Oc3ccc(-c4cccc(Cl)c4)cc32)N=C1N.
What is the InChIKey of (2S,4R)-6-(3-chlorophenyl)-5'-methyl-2-[(3R)-oxan-3-yl]spiro[2,3-dihydrochromene-4,2'-imidazole]-4'-amine?
The InChIKey is MWVBEWBNSOHPSD-FRGLQRNOSA-N. The full InChI is InChI=1S/C23H24ClN3O2/c1-14-22(25)27-23(26-14)12-21(17-5-3-9-28-13-17)29-20-8-7-16(11-19(20)23)15-4-2-6-18(24)10-15/h2,4,6-8,10-11,17,21H,3,5,9,12-13H2,1H3,(H2,25,27)/t17-,21+,23-/m1/s1.
What are the key properties of (2S,4R)-6-(3-chlorophenyl)-5'-methyl-2-[(3R)-oxan-3-yl]spiro[2,3-dihydrochromene-4,2'-imidazole]-4'-amine?
(2S,4R)-6-(3-chlorophenyl)-5'-methyl-2-[(3R)-oxan-3-yl]spiro[2,3-dihydrochromene-4,2'-imidazole]-4'-amine has a molecular weight of 409.92 g/mol, XLogP of 4.57, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-6-(3-chlorophenyl)-5'-methyl-2-[(3R)-oxan-3-yl]spiro[2,3-dihydrochromene-4,2'-imidazole]-4'-amine is sourced from PubChem (CID 67979698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).