N-benzyl-8-(2-methoxyethoxy)-2-(2-methylbenzimidazol-1-yl)quinazolin-4-amine

C26H25N5O2 — CID 73053029

IUPACN-benzyl-8-(2-methoxyethoxy)-2-(2-methylbenzimidazol-1-yl)quinazolin-4-amine
SMILESCOCCOc1cccc2c(NCc3ccccc3)nc(-n3c(C)nc4ccccc43)nc12
InChIInChI=1S/C26H25N5O2/c1-18-28-21-12-6-7-13-22(21)31(18)26-29-24-20(11-8-14-23(24)33-16-15-32-2)25(30-26)27-17-19-9-4-3-5-10-19/h3-14H,15-17H2,1-2H3,(H,27,29,30)
InChIKeyCSPUENBRLJDGKR-UHFFFAOYSA-N
MW439.52 g/mol
LogP4.91
Rot. Bonds8

About N-benzyl-8-(2-methoxyethoxy)-2-(2-methylbenzimidazol-1-yl)quinazolin-4-amine

N-benzyl-8-(2-methoxyethoxy)-2-(2-methylbenzimidazol-1-yl)quinazolin-4-amine (PubChem CID 73053029) has the molecular formula C26H25N5O2 and a molecular weight of 439.52 g/mol. Its IUPAC name is N-benzyl-8-(2-methoxyethoxy)-2-(2-methylbenzimidazol-1-yl)quinazolin-4-amine.

Molecular Properties

Compound NameN-benzyl-8-(2-methoxyethoxy)-2-(2-methylbenzimidazol-1-yl)quinazolin-4-amine
PubChem CID73053029
Molecular FormulaC26H25N5O2
Molecular Weight439.52 g/mol
Exact Mass439.20
IUPAC NameN-benzyl-8-(2-methoxyethoxy)-2-(2-methylbenzimidazol-1-yl)quinazolin-4-amine
SMILESCOCCOc1cccc2c(NCc3ccccc3)nc(-n3c(C)nc4ccccc43)nc12
InChIInChI=1S/C26H25N5O2/c1-18-28-21-12-6-7-13-22(21)31(18)26-29-24-20(11-8-14-23(24)33-16-15-32-2)25(30-26)27-17-19-9-4-3-5-10-19/h3-14H,15-17H2,1-2H3,(H,27,29,30)
InChIKeyCSPUENBRLJDGKR-UHFFFAOYSA-N
XLogP4.91
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-8-(2-methoxyethoxy)-2-(2-methylbenzimidazol-1-yl)quinazolin-4-amine?
The IUPAC name of N-benzyl-8-(2-methoxyethoxy)-2-(2-methylbenzimidazol-1-yl)quinazolin-4-amine (CID 73053029) is N-benzyl-8-(2-methoxyethoxy)-2-(2-methylbenzimidazol-1-yl)quinazolin-4-amine.
What is the SMILES notation for N-benzyl-8-(2-methoxyethoxy)-2-(2-methylbenzimidazol-1-yl)quinazolin-4-amine?
The canonical SMILES for N-benzyl-8-(2-methoxyethoxy)-2-(2-methylbenzimidazol-1-yl)quinazolin-4-amine is COCCOc1cccc2c(NCc3ccccc3)nc(-n3c(C)nc4ccccc43)nc12.
What is the InChIKey of N-benzyl-8-(2-methoxyethoxy)-2-(2-methylbenzimidazol-1-yl)quinazolin-4-amine?
The InChIKey is CSPUENBRLJDGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O2/c1-18-28-21-12-6-7-13-22(21)31(18)26-29-24-20(11-8-14-23(24)33-16-15-32-2)25(30-26)27-17-19-9-4-3-5-10-19/h3-14H,15-17H2,1-2H3,(H,27,29,30).
What are the key properties of N-benzyl-8-(2-methoxyethoxy)-2-(2-methylbenzimidazol-1-yl)quinazolin-4-amine?
N-benzyl-8-(2-methoxyethoxy)-2-(2-methylbenzimidazol-1-yl)quinazolin-4-amine has a molecular weight of 439.52 g/mol, XLogP of 4.91, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-8-(2-methoxyethoxy)-2-(2-methylbenzimidazol-1-yl)quinazolin-4-amine is sourced from PubChem (CID 73053029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).