(4-chlorophenyl)-[5-(3-chlorophenyl)imidazo[1,2-a]quinazolin-7-yl]-(3-methylimidazol-4-yl)methanamine

C27H20Cl2N6 — CID 23388975

IUPAC(4-chlorophenyl)-[5-(3-chlorophenyl)imidazo[1,2-a]quinazolin-7-yl]-(3-methylimidazol-4-yl)methanamine
SMILESCn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)nc1nccn12
InChIInChI=1S/C27H20Cl2N6/c1-34-16-31-15-24(34)27(30,18-5-8-20(28)9-6-18)19-7-10-23-22(14-19)25(17-3-2-4-21(29)13-17)33-26-32-11-12-35(23)26/h2-16H,30H2,1H3
InChIKeyAAAMHEXGLYVZSJ-UHFFFAOYSA-N
MW499.41 g/mol
LogP5.84
Rot. Bonds4

About (4-chlorophenyl)-[5-(3-chlorophenyl)imidazo[1,2-a]quinazolin-7-yl]-(3-methylimidazol-4-yl)methanamine

(4-chlorophenyl)-[5-(3-chlorophenyl)imidazo[1,2-a]quinazolin-7-yl]-(3-methylimidazol-4-yl)methanamine (PubChem CID 23388975) has the molecular formula C27H20Cl2N6 and a molecular weight of 499.41 g/mol. Its IUPAC name is (4-chlorophenyl)-[5-(3-chlorophenyl)imidazo[1,2-a]quinazolin-7-yl]-(3-methylimidazol-4-yl)methanamine.

Molecular Properties

Compound Name(4-chlorophenyl)-[5-(3-chlorophenyl)imidazo[1,2-a]quinazolin-7-yl]-(3-methylimidazol-4-yl)methanamine
PubChem CID23388975
Molecular FormulaC27H20Cl2N6
Molecular Weight499.41 g/mol
Exact Mass498.11
IUPAC Name(4-chlorophenyl)-[5-(3-chlorophenyl)imidazo[1,2-a]quinazolin-7-yl]-(3-methylimidazol-4-yl)methanamine
SMILESCn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)nc1nccn12
InChIInChI=1S/C27H20Cl2N6/c1-34-16-31-15-24(34)27(30,18-5-8-20(28)9-6-18)19-7-10-23-22(14-19)25(17-3-2-4-21(29)13-17)33-26-32-11-12-35(23)26/h2-16H,30H2,1H3
InChIKeyAAAMHEXGLYVZSJ-UHFFFAOYSA-N
XLogP5.84
TPSA74.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.41
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[5-(3-chlorophenyl)imidazo[1,2-a]quinazolin-7-yl]-(3-methylimidazol-4-yl)methanamine?
The IUPAC name of (4-chlorophenyl)-[5-(3-chlorophenyl)imidazo[1,2-a]quinazolin-7-yl]-(3-methylimidazol-4-yl)methanamine (CID 23388975) is (4-chlorophenyl)-[5-(3-chlorophenyl)imidazo[1,2-a]quinazolin-7-yl]-(3-methylimidazol-4-yl)methanamine.
What is the SMILES notation for (4-chlorophenyl)-[5-(3-chlorophenyl)imidazo[1,2-a]quinazolin-7-yl]-(3-methylimidazol-4-yl)methanamine?
The canonical SMILES for (4-chlorophenyl)-[5-(3-chlorophenyl)imidazo[1,2-a]quinazolin-7-yl]-(3-methylimidazol-4-yl)methanamine is Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)nc1nccn12.
What is the InChIKey of (4-chlorophenyl)-[5-(3-chlorophenyl)imidazo[1,2-a]quinazolin-7-yl]-(3-methylimidazol-4-yl)methanamine?
The InChIKey is AAAMHEXGLYVZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20Cl2N6/c1-34-16-31-15-24(34)27(30,18-5-8-20(28)9-6-18)19-7-10-23-22(14-19)25(17-3-2-4-21(29)13-17)33-26-32-11-12-35(23)26/h2-16H,30H2,1H3.
What are the key properties of (4-chlorophenyl)-[5-(3-chlorophenyl)imidazo[1,2-a]quinazolin-7-yl]-(3-methylimidazol-4-yl)methanamine?
(4-chlorophenyl)-[5-(3-chlorophenyl)imidazo[1,2-a]quinazolin-7-yl]-(3-methylimidazol-4-yl)methanamine has a molecular weight of 499.41 g/mol, XLogP of 5.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[5-(3-chlorophenyl)imidazo[1,2-a]quinazolin-7-yl]-(3-methylimidazol-4-yl)methanamine is sourced from PubChem (CID 23388975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).