3-[2'-amino-1'-methyl-5'-oxo-2-(propoxymethyl)spiro[2,3-dihydrochromene-4,4'-imidazole]-6-yl]-4-methylbenzonitrile

C24H26N4O3 — CID 143944294

IUPAC3-[2'-amino-1'-methyl-5'-oxo-2-(propoxymethyl)spiro[2,3-dihydrochromene-4,4'-imidazole]-6-yl]-4-methylbenzonitrile
SMILESCCCOCC1CC2(N=C(N)N(C)C2=O)c2cc(-c3cc(C#N)ccc3C)ccc2O1
InChIInChI=1S/C24H26N4O3/c1-4-9-30-14-18-12-24(22(29)28(3)23(26)27-24)20-11-17(7-8-21(20)31-18)19-10-16(13-25)6-5-15(19)2/h5-8,10-11,18H,4,9,12,14H2,1-3H3,(H2,26,27)
InChIKeyQZBVTUJFDMNEHO-UHFFFAOYSA-N
MW418.50 g/mol
LogP3.09
Rot. Bonds5

About 3-[2'-amino-1'-methyl-5'-oxo-2-(propoxymethyl)spiro[2,3-dihydrochromene-4,4'-imidazole]-6-yl]-4-methylbenzonitrile

3-[2'-amino-1'-methyl-5'-oxo-2-(propoxymethyl)spiro[2,3-dihydrochromene-4,4'-imidazole]-6-yl]-4-methylbenzonitrile (PubChem CID 143944294) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is 3-[2'-amino-1'-methyl-5'-oxo-2-(propoxymethyl)spiro[2,3-dihydrochromene-4,4'-imidazole]-6-yl]-4-methylbenzonitrile.

Molecular Properties

Compound Name3-[2'-amino-1'-methyl-5'-oxo-2-(propoxymethyl)spiro[2,3-dihydrochromene-4,4'-imidazole]-6-yl]-4-methylbenzonitrile
PubChem CID143944294
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name3-[2'-amino-1'-methyl-5'-oxo-2-(propoxymethyl)spiro[2,3-dihydrochromene-4,4'-imidazole]-6-yl]-4-methylbenzonitrile
SMILESCCCOCC1CC2(N=C(N)N(C)C2=O)c2cc(-c3cc(C#N)ccc3C)ccc2O1
InChIInChI=1S/C24H26N4O3/c1-4-9-30-14-18-12-24(22(29)28(3)23(26)27-24)20-11-17(7-8-21(20)31-18)19-10-16(13-25)6-5-15(19)2/h5-8,10-11,18H,4,9,12,14H2,1-3H3,(H2,26,27)
InChIKeyQZBVTUJFDMNEHO-UHFFFAOYSA-N
XLogP3.09
TPSA100.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[2'-amino-1'-methyl-5'-oxo-2-(propoxymethyl)spiro[2,3-dihydrochromene-4,4'-imidazole]-6-yl]-4-methylbenzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,4S)-2'-amino-6-(3,4-dimethoxyphenyl)-3'-methyl-2-(propoxymethyl)spiro[2,3-dihydrochromene-4,5'-imidazole]-4'-one
CID 143944297
2'-amino-6-bromo-2-(2,2-dimethyloxan-4-yl)-3'-methylspiro[2,3-dihydrochromene-4,5'-imidazole]-4'-one;3-[2'-amino-2-(2,2-dimethyloxan-4-yl)-1'-methyl-5'-oxospiro[2,3-dihydrochromene-4,4'-imidazole]-6-yl]-4-methylbenzonitrile;(5-cyano-2-methylphenyl)boronic acid
CID 160852241
2-(2'-amino-1'-methyl-5'-oxo-2-phenylspiro[2,3-dihydrochromene-4,4'-imidazole]-6-yl)benzonitrile
CID 58424375
3-[(2R,4S)-2'-amino-1'-methyl-5'-oxo-2-thiophen-2-ylspiro[2,3-dihydrochromene-4,4'-imidazole]-6-yl]benzonitrile
CID 58424787
5-(2'-amino-1'-methyl-5'-oxo-2-phenylspiro[2,3-dihydrochromene-4,4'-imidazole]-6-yl)pyridine-3-carbonitrile
CID 46178646
3-[2'-amino-2-(2,3-difluorophenyl)-1'-methyl-5'-oxospiro[2,3-dihydrochromene-4,4'-imidazole]-6-yl]benzonitrile
CID 58424175
3-[3-amino-2'-(2,2-dimethyloxan-4-yl)-2-methylspiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-6'-yl]-4-methylbenzonitrile
CID 58424742
2'-amino-6-(3-chloro-5-fluorophenyl)-2-(2-methoxybutyl)-3'-methylspiro[2,3-dihydrochromene-4,5'-imidazole]-4'-one
CID 123916222
(2R,4S)-2'-amino-6-(6-chloro-2-pyridinyl)-2-(3-methoxypropyl)-3'-methylspiro[2,3-dihydrochromene-4,5'-imidazole]-4'-one
CID 143944483
(2S,4S)-2'-amino-2-(3-methoxypropyl)-3'-methyl-6-[3-(trifluoromethyl)phenyl]spiro[2,3-dihydrochromene-4,5'-imidazole]-4'-one
CID 70236220
3-[(2S)-2'-amino-1'-methyl-5'-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-yl)spiro[2,3-dihydrochromene-4,4'-imidazole]-6-yl]benzonitrile
CID 58423975
3-[2'-amino-2-(2,2-dimethyloxan-4-yl)-1'-methyl-5'-oxospiro[2,3-dihydrochromene-4,4'-imidazole]-6-yl]-5-chlorobenzonitrile
CID 58424038

Frequently Asked Questions

What is the IUPAC name of 3-[2'-amino-1'-methyl-5'-oxo-2-(propoxymethyl)spiro[2,3-dihydrochromene-4,4'-imidazole]-6-yl]-4-methylbenzonitrile?
The IUPAC name of 3-[2'-amino-1'-methyl-5'-oxo-2-(propoxymethyl)spiro[2,3-dihydrochromene-4,4'-imidazole]-6-yl]-4-methylbenzonitrile (CID 143944294) is 3-[2'-amino-1'-methyl-5'-oxo-2-(propoxymethyl)spiro[2,3-dihydrochromene-4,4'-imidazole]-6-yl]-4-methylbenzonitrile.
What is the SMILES notation for 3-[2'-amino-1'-methyl-5'-oxo-2-(propoxymethyl)spiro[2,3-dihydrochromene-4,4'-imidazole]-6-yl]-4-methylbenzonitrile?
The canonical SMILES for 3-[2'-amino-1'-methyl-5'-oxo-2-(propoxymethyl)spiro[2,3-dihydrochromene-4,4'-imidazole]-6-yl]-4-methylbenzonitrile is CCCOCC1CC2(N=C(N)N(C)C2=O)c2cc(-c3cc(C#N)ccc3C)ccc2O1.
What is the InChIKey of 3-[2'-amino-1'-methyl-5'-oxo-2-(propoxymethyl)spiro[2,3-dihydrochromene-4,4'-imidazole]-6-yl]-4-methylbenzonitrile?
The InChIKey is QZBVTUJFDMNEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-4-9-30-14-18-12-24(22(29)28(3)23(26)27-24)20-11-17(7-8-21(20)31-18)19-10-16(13-25)6-5-15(19)2/h5-8,10-11,18H,4,9,12,14H2,1-3H3,(H2,26,27).
What are the key properties of 3-[2'-amino-1'-methyl-5'-oxo-2-(propoxymethyl)spiro[2,3-dihydrochromene-4,4'-imidazole]-6-yl]-4-methylbenzonitrile?
3-[2'-amino-1'-methyl-5'-oxo-2-(propoxymethyl)spiro[2,3-dihydrochromene-4,4'-imidazole]-6-yl]-4-methylbenzonitrile has a molecular weight of 418.50 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2'-amino-1'-methyl-5'-oxo-2-(propoxymethyl)spiro[2,3-dihydrochromene-4,4'-imidazole]-6-yl]-4-methylbenzonitrile is sourced from PubChem (CID 143944294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).