2'-amino-6-(5-chloro-3-pyridinyl)-2,2,3'-trimethylspiro[1,3-dihydronaphthalene-4,5'-imidazole]-4'-one

C20H21ClN4O — CID 53493353

IUPAC2'-amino-6-(5-chloro-3-pyridinyl)-2,2,3'-trimethylspiro[1,3-dihydronaphthalene-4,5'-imidazole]-4'-one
SMILESCN1C(=O)C2(CC(C)(C)Cc3ccc(-c4cncc(Cl)c4)cc32)N=C1N
InChIInChI=1S/C20H21ClN4O/c1-19(2)8-13-5-4-12(14-6-15(21)10-23-9-14)7-16(13)20(11-19)17(26)25(3)18(22)24-20/h4-7,9-10H,8,11H2,1-3H3,(H2,22,24)
InChIKeyNDXIZMXUTQMJAP-UHFFFAOYSA-N
MW368.87 g/mol
LogP3.36
Rot. Bonds1

About 2'-amino-6-(5-chloro-3-pyridinyl)-2,2,3'-trimethylspiro[1,3-dihydronaphthalene-4,5'-imidazole]-4'-one

2'-amino-6-(5-chloro-3-pyridinyl)-2,2,3'-trimethylspiro[1,3-dihydronaphthalene-4,5'-imidazole]-4'-one (PubChem CID 53493353) has the molecular formula C20H21ClN4O and a molecular weight of 368.87 g/mol. Its IUPAC name is 2'-amino-6-(5-chloro-3-pyridinyl)-2,2,3'-trimethylspiro[1,3-dihydronaphthalene-4,5'-imidazole]-4'-one.

Molecular Properties

Compound Name2'-amino-6-(5-chloro-3-pyridinyl)-2,2,3'-trimethylspiro[1,3-dihydronaphthalene-4,5'-imidazole]-4'-one
PubChem CID53493353
Molecular FormulaC20H21ClN4O
Molecular Weight368.87 g/mol
Exact Mass368.14
IUPAC Name2'-amino-6-(5-chloro-3-pyridinyl)-2,2,3'-trimethylspiro[1,3-dihydronaphthalene-4,5'-imidazole]-4'-one
SMILESCN1C(=O)C2(CC(C)(C)Cc3ccc(-c4cncc(Cl)c4)cc32)N=C1N
InChIInChI=1S/C20H21ClN4O/c1-19(2)8-13-5-4-12(14-6-15(21)10-23-9-14)7-16(13)20(11-19)17(26)25(3)18(22)24-20/h4-7,9-10H,8,11H2,1-3H3,(H2,22,24)
InChIKeyNDXIZMXUTQMJAP-UHFFFAOYSA-N
XLogP3.36
TPSA71.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.87
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2'-amino-6-(5-chloro-3-pyridinyl)-2,2,3'-trimethylspiro[1,3-dihydronaphthalene-4,5'-imidazole]-4'-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2'-amino-6-(5-chloro-3-pyridinyl)-2,2,3'-trimethylspiro[1,3-dihydronaphthalene-4,5'-imidazole]-4'-one?
The IUPAC name of 2'-amino-6-(5-chloro-3-pyridinyl)-2,2,3'-trimethylspiro[1,3-dihydronaphthalene-4,5'-imidazole]-4'-one (CID 53493353) is 2'-amino-6-(5-chloro-3-pyridinyl)-2,2,3'-trimethylspiro[1,3-dihydronaphthalene-4,5'-imidazole]-4'-one.
What is the SMILES notation for 2'-amino-6-(5-chloro-3-pyridinyl)-2,2,3'-trimethylspiro[1,3-dihydronaphthalene-4,5'-imidazole]-4'-one?
The canonical SMILES for 2'-amino-6-(5-chloro-3-pyridinyl)-2,2,3'-trimethylspiro[1,3-dihydronaphthalene-4,5'-imidazole]-4'-one is CN1C(=O)C2(CC(C)(C)Cc3ccc(-c4cncc(Cl)c4)cc32)N=C1N.
What is the InChIKey of 2'-amino-6-(5-chloro-3-pyridinyl)-2,2,3'-trimethylspiro[1,3-dihydronaphthalene-4,5'-imidazole]-4'-one?
The InChIKey is NDXIZMXUTQMJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O/c1-19(2)8-13-5-4-12(14-6-15(21)10-23-9-14)7-16(13)20(11-19)17(26)25(3)18(22)24-20/h4-7,9-10H,8,11H2,1-3H3,(H2,22,24).
What are the key properties of 2'-amino-6-(5-chloro-3-pyridinyl)-2,2,3'-trimethylspiro[1,3-dihydronaphthalene-4,5'-imidazole]-4'-one?
2'-amino-6-(5-chloro-3-pyridinyl)-2,2,3'-trimethylspiro[1,3-dihydronaphthalene-4,5'-imidazole]-4'-one has a molecular weight of 368.87 g/mol, XLogP of 3.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-amino-6-(5-chloro-3-pyridinyl)-2,2,3'-trimethylspiro[1,3-dihydronaphthalene-4,5'-imidazole]-4'-one is sourced from PubChem (CID 53493353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).