1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 2-(4-oxoquinazolin-3-yl)acetate

C20H16F2N4O3 — CID 78799129

IUPAC1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 2-(4-oxoquinazolin-3-yl)acetate
SMILESCC(OC(=O)Cn1cnc2ccccc2c1=O)c1nc2ccccc2n1C(F)F
InChIInChI=1S/C20H16F2N4O3/c1-12(18-24-15-8-4-5-9-16(15)26(18)20(21)22)29-17(27)10-25-11-23-14-7-3-2-6-13(14)19(25)28/h2-9,11-12,20H,10H2,1H3
InChIKeyOWUZVSQZEGBYQC-UHFFFAOYSA-N
MW398.37 g/mol
LogP3.45
Rot. Bonds5

About 1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 2-(4-oxoquinazolin-3-yl)acetate

1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 2-(4-oxoquinazolin-3-yl)acetate (PubChem CID 78799129) has the molecular formula C20H16F2N4O3 and a molecular weight of 398.37 g/mol. Its IUPAC name is 1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 2-(4-oxoquinazolin-3-yl)acetate.

Molecular Properties

Compound Name1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 2-(4-oxoquinazolin-3-yl)acetate
PubChem CID78799129
Molecular FormulaC20H16F2N4O3
Molecular Weight398.37 g/mol
Exact Mass398.12
IUPAC Name1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 2-(4-oxoquinazolin-3-yl)acetate
SMILESCC(OC(=O)Cn1cnc2ccccc2c1=O)c1nc2ccccc2n1C(F)F
InChIInChI=1S/C20H16F2N4O3/c1-12(18-24-15-8-4-5-9-16(15)26(18)20(21)22)29-17(27)10-25-11-23-14-7-3-2-6-13(14)19(25)28/h2-9,11-12,20H,10H2,1H3
InChIKeyOWUZVSQZEGBYQC-UHFFFAOYSA-N
XLogP3.45
TPSA79.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.37
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(2-oxo-1,2-diphenylethyl) 2-(4-oxoquinazolin-3-yl)acetate
CID 24683836
1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl benzoate
CID 18155834
1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 2-(4-methoxyphenyl)sulfanylacetate
CID 55380808
[(1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 9405860
1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 1-methylindole-3-carboxylate
CID 51110128
[(1S)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl] 1-methylindole-3-carboxylate
CID 52532641
[(2S)-1-anilino-1-oxopropan-2-yl] 2-(4-oxoquinazolin-3-yl)acetate
CID 7995099
[(1R)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl] 3,4,5-trimethoxybenzoate
CID 40656243
1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 3-methyl-1-benzofuran-2-carboxylate
CID 18274789
1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 2-[4-(trifluoromethoxy)phenyl]acetate
CID 55756648
3-(3-methyl-2-oxobutyl)quinazolin-4-one
CID 78949362
1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 6-methylpyridine-2-carboxylate
CID 134001745

Frequently Asked Questions

What is the IUPAC name of 1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 2-(4-oxoquinazolin-3-yl)acetate?
The IUPAC name of 1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 2-(4-oxoquinazolin-3-yl)acetate (CID 78799129) is 1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 2-(4-oxoquinazolin-3-yl)acetate.
What is the SMILES notation for 1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 2-(4-oxoquinazolin-3-yl)acetate?
The canonical SMILES for 1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 2-(4-oxoquinazolin-3-yl)acetate is CC(OC(=O)Cn1cnc2ccccc2c1=O)c1nc2ccccc2n1C(F)F.
What is the InChIKey of 1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 2-(4-oxoquinazolin-3-yl)acetate?
The InChIKey is OWUZVSQZEGBYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N4O3/c1-12(18-24-15-8-4-5-9-16(15)26(18)20(21)22)29-17(27)10-25-11-23-14-7-3-2-6-13(14)19(25)28/h2-9,11-12,20H,10H2,1H3.
What are the key properties of 1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 2-(4-oxoquinazolin-3-yl)acetate?
1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 2-(4-oxoquinazolin-3-yl)acetate has a molecular weight of 398.37 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 2-(4-oxoquinazolin-3-yl)acetate is sourced from PubChem (CID 78799129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).