2'-amino-3'-methyl-6-[4-(methylaminomethyl)phenyl]-2-phenylspiro[2,3-dihydrochromene-4,5'-imidazole]-4'-one;formaldehyde

C28H30N4O4 — CID 143944589

IUPAC2'-amino-3'-methyl-6-[4-(methylaminomethyl)phenyl]-2-phenylspiro[2,3-dihydrochromene-4,5'-imidazole]-4'-one;formaldehyde
SMILESC=O.C=O.CNCc1ccc(-c2ccc3c(c2)C2(CC(c4ccccc4)O3)N=C(N)N(C)C2=O)cc1
InChIInChI=1S/C26H26N4O2.2CH2O/c1-28-16-17-8-10-18(11-9-17)20-12-13-22-21(14-20)26(24(31)30(2)25(27)29-26)15-23(32-22)19-6-4-3-5-7-19;2*1-2/h3-14,23,28H,15-16H2,1-2H3,(H2,27,29);2*1H2
InChIKeyZPKFJGJVSKGILJ-UHFFFAOYSA-N
MW486.57 g/mol
LogP3.21
Rot. Bonds4

About 2'-amino-3'-methyl-6-[4-(methylaminomethyl)phenyl]-2-phenylspiro[2,3-dihydrochromene-4,5'-imidazole]-4'-one;formaldehyde

2'-amino-3'-methyl-6-[4-(methylaminomethyl)phenyl]-2-phenylspiro[2,3-dihydrochromene-4,5'-imidazole]-4'-one;formaldehyde (PubChem CID 143944589) has the molecular formula C28H30N4O4 and a molecular weight of 486.57 g/mol. Its IUPAC name is 2'-amino-3'-methyl-6-[4-(methylaminomethyl)phenyl]-2-phenylspiro[2,3-dihydrochromene-4,5'-imidazole]-4'-one;formaldehyde.

Molecular Properties

Compound Name2'-amino-3'-methyl-6-[4-(methylaminomethyl)phenyl]-2-phenylspiro[2,3-dihydrochromene-4,5'-imidazole]-4'-one;formaldehyde
PubChem CID143944589
Molecular FormulaC28H30N4O4
Molecular Weight486.57 g/mol
Exact Mass486.23
IUPAC Name2'-amino-3'-methyl-6-[4-(methylaminomethyl)phenyl]-2-phenylspiro[2,3-dihydrochromene-4,5'-imidazole]-4'-one;formaldehyde
SMILESC=O.C=O.CNCc1ccc(-c2ccc3c(c2)C2(CC(c4ccccc4)O3)N=C(N)N(C)C2=O)cc1
InChIInChI=1S/C26H26N4O2.2CH2O/c1-28-16-17-8-10-18(11-9-17)20-12-13-22-21(14-20)26(24(31)30(2)25(27)29-26)15-23(32-22)19-6-4-3-5-7-19;2*1-2/h3-14,23,28H,15-16H2,1-2H3,(H2,27,29);2*1H2
InChIKeyZPKFJGJVSKGILJ-UHFFFAOYSA-N
XLogP3.21
TPSA114.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.57
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2'-amino-3'-methyl-6-[4-(methylaminomethyl)phenyl]-2-phenylspiro[2,3-dihydrochromene-4,5'-imidazole]-4'-one;formaldehyde?
The IUPAC name of 2'-amino-3'-methyl-6-[4-(methylaminomethyl)phenyl]-2-phenylspiro[2,3-dihydrochromene-4,5'-imidazole]-4'-one;formaldehyde (CID 143944589) is 2'-amino-3'-methyl-6-[4-(methylaminomethyl)phenyl]-2-phenylspiro[2,3-dihydrochromene-4,5'-imidazole]-4'-one;formaldehyde.
What is the SMILES notation for 2'-amino-3'-methyl-6-[4-(methylaminomethyl)phenyl]-2-phenylspiro[2,3-dihydrochromene-4,5'-imidazole]-4'-one;formaldehyde?
The canonical SMILES for 2'-amino-3'-methyl-6-[4-(methylaminomethyl)phenyl]-2-phenylspiro[2,3-dihydrochromene-4,5'-imidazole]-4'-one;formaldehyde is C=O.C=O.CNCc1ccc(-c2ccc3c(c2)C2(CC(c4ccccc4)O3)N=C(N)N(C)C2=O)cc1.
What is the InChIKey of 2'-amino-3'-methyl-6-[4-(methylaminomethyl)phenyl]-2-phenylspiro[2,3-dihydrochromene-4,5'-imidazole]-4'-one;formaldehyde?
The InChIKey is ZPKFJGJVSKGILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2.2CH2O/c1-28-16-17-8-10-18(11-9-17)20-12-13-22-21(14-20)26(24(31)30(2)25(27)29-26)15-23(32-22)19-6-4-3-5-7-19;2*1-2/h3-14,23,28H,15-16H2,1-2H3,(H2,27,29);2*1H2.
What are the key properties of 2'-amino-3'-methyl-6-[4-(methylaminomethyl)phenyl]-2-phenylspiro[2,3-dihydrochromene-4,5'-imidazole]-4'-one;formaldehyde?
2'-amino-3'-methyl-6-[4-(methylaminomethyl)phenyl]-2-phenylspiro[2,3-dihydrochromene-4,5'-imidazole]-4'-one;formaldehyde has a molecular weight of 486.57 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-amino-3'-methyl-6-[4-(methylaminomethyl)phenyl]-2-phenylspiro[2,3-dihydrochromene-4,5'-imidazole]-4'-one;formaldehyde is sourced from PubChem (CID 143944589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).