2-(furan-2-yl)-3-(1-methylbenzimidazol-2-yl)quinazolin-4-one

C20H14N4O2 — CID 659799

IUPAC2-(furan-2-yl)-3-(1-methylbenzimidazol-2-yl)quinazolin-4-one
SMILESCn1c(-n2c(-c3ccco3)nc3ccccc3c2=O)nc2ccccc21
InChIInChI=1S/C20H14N4O2/c1-23-16-10-5-4-9-15(16)22-20(23)24-18(17-11-6-12-26-17)21-14-8-3-2-7-13(14)19(24)25/h2-12H,1H3
InChIKeyBSCGYFFZJIOQFR-UHFFFAOYSA-N
MW342.36 g/mol
LogP3.53
Rot. Bonds2

About 2-(furan-2-yl)-3-(1-methylbenzimidazol-2-yl)quinazolin-4-one

2-(furan-2-yl)-3-(1-methylbenzimidazol-2-yl)quinazolin-4-one (PubChem CID 659799) has the molecular formula C20H14N4O2 and a molecular weight of 342.36 g/mol. Its IUPAC name is 2-(furan-2-yl)-3-(1-methylbenzimidazol-2-yl)quinazolin-4-one.

Molecular Properties

Compound Name2-(furan-2-yl)-3-(1-methylbenzimidazol-2-yl)quinazolin-4-one
PubChem CID659799
Molecular FormulaC20H14N4O2
Molecular Weight342.36 g/mol
Exact Mass342.11
IUPAC Name2-(furan-2-yl)-3-(1-methylbenzimidazol-2-yl)quinazolin-4-one
SMILESCn1c(-n2c(-c3ccco3)nc3ccccc3c2=O)nc2ccccc21
InChIInChI=1S/C20H14N4O2/c1-23-16-10-5-4-9-15(16)22-20(23)24-18(17-11-6-12-26-17)21-14-8-3-2-7-13(14)19(24)25/h2-12H,1H3
InChIKeyBSCGYFFZJIOQFR-UHFFFAOYSA-N
XLogP3.53
TPSA65.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-3-(1-methylbenzimidazol-2-yl)quinazolin-4-one?
The IUPAC name of 2-(furan-2-yl)-3-(1-methylbenzimidazol-2-yl)quinazolin-4-one (CID 659799) is 2-(furan-2-yl)-3-(1-methylbenzimidazol-2-yl)quinazolin-4-one.
What is the SMILES notation for 2-(furan-2-yl)-3-(1-methylbenzimidazol-2-yl)quinazolin-4-one?
The canonical SMILES for 2-(furan-2-yl)-3-(1-methylbenzimidazol-2-yl)quinazolin-4-one is Cn1c(-n2c(-c3ccco3)nc3ccccc3c2=O)nc2ccccc21.
What is the InChIKey of 2-(furan-2-yl)-3-(1-methylbenzimidazol-2-yl)quinazolin-4-one?
The InChIKey is BSCGYFFZJIOQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O2/c1-23-16-10-5-4-9-15(16)22-20(23)24-18(17-11-6-12-26-17)21-14-8-3-2-7-13(14)19(24)25/h2-12H,1H3.
What are the key properties of 2-(furan-2-yl)-3-(1-methylbenzimidazol-2-yl)quinazolin-4-one?
2-(furan-2-yl)-3-(1-methylbenzimidazol-2-yl)quinazolin-4-one has a molecular weight of 342.36 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-3-(1-methylbenzimidazol-2-yl)quinazolin-4-one is sourced from PubChem (CID 659799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).