N-[6-(benzimidazol-1-yl)-3-pyridinyl]quinazolin-4-amine

C20H14N6 — CID 25333220

IUPACN-[6-(benzimidazol-1-yl)-3-pyridinyl]quinazolin-4-amine
SMILESc1ccc2c(Nc3ccc(-n4cnc5ccccc54)nc3)ncnc2c1
InChIInChI=1S/C20H14N6/c1-2-6-16-15(5-1)20(23-12-22-16)25-14-9-10-19(21-11-14)26-13-24-17-7-3-4-8-18(17)26/h1-13H,(H,22,23,25)
InChIKeyZCCNISBCBYGKFN-UHFFFAOYSA-N
MW338.37 g/mol
LogP4.11
Rot. Bonds3

About N-[6-(benzimidazol-1-yl)-3-pyridinyl]quinazolin-4-amine

N-[6-(benzimidazol-1-yl)-3-pyridinyl]quinazolin-4-amine (PubChem CID 25333220) has the molecular formula C20H14N6 and a molecular weight of 338.37 g/mol. Its IUPAC name is N-[6-(benzimidazol-1-yl)-3-pyridinyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-[6-(benzimidazol-1-yl)-3-pyridinyl]quinazolin-4-amine
PubChem CID25333220
Molecular FormulaC20H14N6
Molecular Weight338.37 g/mol
Exact Mass338.13
IUPAC NameN-[6-(benzimidazol-1-yl)-3-pyridinyl]quinazolin-4-amine
SMILESc1ccc2c(Nc3ccc(-n4cnc5ccccc54)nc3)ncnc2c1
InChIInChI=1S/C20H14N6/c1-2-6-16-15(5-1)20(23-12-22-16)25-14-9-10-19(21-11-14)26-13-24-17-7-3-4-8-18(17)26/h1-13H,(H,22,23,25)
InChIKeyZCCNISBCBYGKFN-UHFFFAOYSA-N
XLogP4.11
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-(benzimidazol-1-yl)-3-pyridinyl]quinazolin-4-amine?
The IUPAC name of N-[6-(benzimidazol-1-yl)-3-pyridinyl]quinazolin-4-amine (CID 25333220) is N-[6-(benzimidazol-1-yl)-3-pyridinyl]quinazolin-4-amine.
What is the SMILES notation for N-[6-(benzimidazol-1-yl)-3-pyridinyl]quinazolin-4-amine?
The canonical SMILES for N-[6-(benzimidazol-1-yl)-3-pyridinyl]quinazolin-4-amine is c1ccc2c(Nc3ccc(-n4cnc5ccccc54)nc3)ncnc2c1.
What is the InChIKey of N-[6-(benzimidazol-1-yl)-3-pyridinyl]quinazolin-4-amine?
The InChIKey is ZCCNISBCBYGKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N6/c1-2-6-16-15(5-1)20(23-12-22-16)25-14-9-10-19(21-11-14)26-13-24-17-7-3-4-8-18(17)26/h1-13H,(H,22,23,25).
What are the key properties of N-[6-(benzimidazol-1-yl)-3-pyridinyl]quinazolin-4-amine?
N-[6-(benzimidazol-1-yl)-3-pyridinyl]quinazolin-4-amine has a molecular weight of 338.37 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(benzimidazol-1-yl)-3-pyridinyl]quinazolin-4-amine is sourced from PubChem (CID 25333220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).