2-(2-amino-5-chlorobenzimidazol-1-yl)-N-benzyl-8-methoxyquinazolin-4-amine

C23H19ClN6O — CID 50918584

IUPAC2-(2-amino-5-chlorobenzimidazol-1-yl)-N-benzyl-8-methoxyquinazolin-4-amine
SMILESCOc1cccc2c(NCc3ccccc3)nc(-n3c(N)nc4cc(Cl)ccc43)nc12
InChIInChI=1S/C23H19ClN6O/c1-31-19-9-5-8-16-20(19)28-23(29-21(16)26-13-14-6-3-2-4-7-14)30-18-11-10-15(24)12-17(18)27-22(30)25/h2-12H,13H2,1H3,(H2,25,27)(H,26,28,29)
InChIKeyGDVVGDCOFTUGLM-UHFFFAOYSA-N
MW430.90 g/mol
LogP4.82
Rot. Bonds5

About 2-(2-amino-5-chlorobenzimidazol-1-yl)-N-benzyl-8-methoxyquinazolin-4-amine

2-(2-amino-5-chlorobenzimidazol-1-yl)-N-benzyl-8-methoxyquinazolin-4-amine (PubChem CID 50918584) has the molecular formula C23H19ClN6O and a molecular weight of 430.90 g/mol. Its IUPAC name is 2-(2-amino-5-chlorobenzimidazol-1-yl)-N-benzyl-8-methoxyquinazolin-4-amine.

Molecular Properties

Compound Name2-(2-amino-5-chlorobenzimidazol-1-yl)-N-benzyl-8-methoxyquinazolin-4-amine
PubChem CID50918584
Molecular FormulaC23H19ClN6O
Molecular Weight430.90 g/mol
Exact Mass430.13
IUPAC Name2-(2-amino-5-chlorobenzimidazol-1-yl)-N-benzyl-8-methoxyquinazolin-4-amine
SMILESCOc1cccc2c(NCc3ccccc3)nc(-n3c(N)nc4cc(Cl)ccc43)nc12
InChIInChI=1S/C23H19ClN6O/c1-31-19-9-5-8-16-20(19)28-23(29-21(16)26-13-14-6-3-2-4-7-14)30-18-11-10-15(24)12-17(18)27-22(30)25/h2-12H,13H2,1H3,(H2,25,27)(H,26,28,29)
InChIKeyGDVVGDCOFTUGLM-UHFFFAOYSA-N
XLogP4.82
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.90
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-chlorobenzimidazol-1-yl)-N-benzyl-8-methoxyquinazolin-4-amine?
The IUPAC name of 2-(2-amino-5-chlorobenzimidazol-1-yl)-N-benzyl-8-methoxyquinazolin-4-amine (CID 50918584) is 2-(2-amino-5-chlorobenzimidazol-1-yl)-N-benzyl-8-methoxyquinazolin-4-amine.
What is the SMILES notation for 2-(2-amino-5-chlorobenzimidazol-1-yl)-N-benzyl-8-methoxyquinazolin-4-amine?
The canonical SMILES for 2-(2-amino-5-chlorobenzimidazol-1-yl)-N-benzyl-8-methoxyquinazolin-4-amine is COc1cccc2c(NCc3ccccc3)nc(-n3c(N)nc4cc(Cl)ccc43)nc12.
What is the InChIKey of 2-(2-amino-5-chlorobenzimidazol-1-yl)-N-benzyl-8-methoxyquinazolin-4-amine?
The InChIKey is GDVVGDCOFTUGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN6O/c1-31-19-9-5-8-16-20(19)28-23(29-21(16)26-13-14-6-3-2-4-7-14)30-18-11-10-15(24)12-17(18)27-22(30)25/h2-12H,13H2,1H3,(H2,25,27)(H,26,28,29).
What are the key properties of 2-(2-amino-5-chlorobenzimidazol-1-yl)-N-benzyl-8-methoxyquinazolin-4-amine?
2-(2-amino-5-chlorobenzimidazol-1-yl)-N-benzyl-8-methoxyquinazolin-4-amine has a molecular weight of 430.90 g/mol, XLogP of 4.82, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-chlorobenzimidazol-1-yl)-N-benzyl-8-methoxyquinazolin-4-amine is sourced from PubChem (CID 50918584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).