2-(2-amino-4,5-dimethyl-4,5-dihydroimidazol-1-yl)-N-benzyl-8-methoxyquinazolin-4-amine

C21H24N6O — CID 58523940

IUPAC2-(2-amino-4,5-dimethyl-4,5-dihydroimidazol-1-yl)-N-benzyl-8-methoxyquinazolin-4-amine
SMILESCOc1cccc2c(NCc3ccccc3)nc(N3C(N)=NC(C)C3C)nc12
InChIInChI=1S/C21H24N6O/c1-13-14(2)27(20(22)24-13)21-25-18-16(10-7-11-17(18)28-3)19(26-21)23-12-15-8-5-4-6-9-15/h4-11,13-14H,12H2,1-3H3,(H2,22,24)(H,23,25,26)
InChIKeyRBOMWRBKEMBYOQ-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.16
Rot. Bonds5

About 2-(2-amino-4,5-dimethyl-4,5-dihydroimidazol-1-yl)-N-benzyl-8-methoxyquinazolin-4-amine

2-(2-amino-4,5-dimethyl-4,5-dihydroimidazol-1-yl)-N-benzyl-8-methoxyquinazolin-4-amine (PubChem CID 58523940) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-(2-amino-4,5-dimethyl-4,5-dihydroimidazol-1-yl)-N-benzyl-8-methoxyquinazolin-4-amine.

Molecular Properties

Compound Name2-(2-amino-4,5-dimethyl-4,5-dihydroimidazol-1-yl)-N-benzyl-8-methoxyquinazolin-4-amine
PubChem CID58523940
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC Name2-(2-amino-4,5-dimethyl-4,5-dihydroimidazol-1-yl)-N-benzyl-8-methoxyquinazolin-4-amine
SMILESCOc1cccc2c(NCc3ccccc3)nc(N3C(N)=NC(C)C3C)nc12
InChIInChI=1S/C21H24N6O/c1-13-14(2)27(20(22)24-13)21-25-18-16(10-7-11-17(18)28-3)19(26-21)23-12-15-8-5-4-6-9-15/h4-11,13-14H,12H2,1-3H3,(H2,22,24)(H,23,25,26)
InChIKeyRBOMWRBKEMBYOQ-UHFFFAOYSA-N
XLogP3.16
TPSA88.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(2-amino-4,5-dimethyl-4,5-dihydroimidazol-1-yl)-N-benzyl-8-methoxyquinazolin-4-amine 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-(2-amino-4,5-dimethyl-4,5-dihydroimidazol-1-yl)-N-benzyl-8-methoxyquinazolin-4-amine?
The IUPAC name of 2-(2-amino-4,5-dimethyl-4,5-dihydroimidazol-1-yl)-N-benzyl-8-methoxyquinazolin-4-amine (CID 58523940) is 2-(2-amino-4,5-dimethyl-4,5-dihydroimidazol-1-yl)-N-benzyl-8-methoxyquinazolin-4-amine.
What is the SMILES notation for 2-(2-amino-4,5-dimethyl-4,5-dihydroimidazol-1-yl)-N-benzyl-8-methoxyquinazolin-4-amine?
The canonical SMILES for 2-(2-amino-4,5-dimethyl-4,5-dihydroimidazol-1-yl)-N-benzyl-8-methoxyquinazolin-4-amine is COc1cccc2c(NCc3ccccc3)nc(N3C(N)=NC(C)C3C)nc12.
What is the InChIKey of 2-(2-amino-4,5-dimethyl-4,5-dihydroimidazol-1-yl)-N-benzyl-8-methoxyquinazolin-4-amine?
The InChIKey is RBOMWRBKEMBYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c1-13-14(2)27(20(22)24-13)21-25-18-16(10-7-11-17(18)28-3)19(26-21)23-12-15-8-5-4-6-9-15/h4-11,13-14H,12H2,1-3H3,(H2,22,24)(H,23,25,26).
What are the key properties of 2-(2-amino-4,5-dimethyl-4,5-dihydroimidazol-1-yl)-N-benzyl-8-methoxyquinazolin-4-amine?
2-(2-amino-4,5-dimethyl-4,5-dihydroimidazol-1-yl)-N-benzyl-8-methoxyquinazolin-4-amine has a molecular weight of 376.46 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4,5-dimethyl-4,5-dihydroimidazol-1-yl)-N-benzyl-8-methoxyquinazolin-4-amine is sourced from PubChem (CID 58523940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).