N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide

C25H19F2N5O3 — CID 24597914

IUPACN-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide
SMILESCC(NC(=O)c1ccc2c(=O)n(-c3ccccc3)c(=O)[nH]c2c1)c1nc2ccccc2n1C(F)F
InChIInChI=1S/C25H19F2N5O3/c1-14(21-29-18-9-5-6-10-20(18)32(21)24(26)27)28-22(33)15-11-12-17-19(13-15)30-25(35)31(23(17)34)16-7-3-2-4-8-16/h2-14,24H,1H3,(H,28,33)(H,30,35)
InChIKeyFYFOTGSLXHIZEB-UHFFFAOYSA-N
MW475.46 g/mol
LogP3.91
Rot. Bonds5

About N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide

N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide (PubChem CID 24597914) has the molecular formula C25H19F2N5O3 and a molecular weight of 475.46 g/mol. Its IUPAC name is N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide.

Molecular Properties

Compound NameN-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide
PubChem CID24597914
Molecular FormulaC25H19F2N5O3
Molecular Weight475.46 g/mol
Exact Mass475.15
IUPAC NameN-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide
SMILESCC(NC(=O)c1ccc2c(=O)n(-c3ccccc3)c(=O)[nH]c2c1)c1nc2ccccc2n1C(F)F
InChIInChI=1S/C25H19F2N5O3/c1-14(21-29-18-9-5-6-10-20(18)32(21)24(26)27)28-22(33)15-11-12-17-19(13-15)30-25(35)31(23(17)34)16-7-3-2-4-8-16/h2-14,24H,1H3,(H,28,33)(H,30,35)
InChIKeyFYFOTGSLXHIZEB-UHFFFAOYSA-N
XLogP3.91
TPSA101.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.46
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-ethylbenzimidazol-2-yl)methyl]-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide
CID 24532368
N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-4-(2-phenylethynyl)benzamide
CID 24597937
N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-1,3-benzodioxole-5-carboxamide
CID 42932140
N-(4-chloro-2-fluorophenyl)-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide
CID 27009784
2,4-dioxo-3-phenyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-quinazoline-7-carboxamide
CID 24668194
2,4-dioxo-3-phenyl-N-prop-2-ynyl-1H-quinazoline-7-carboxamide
CID 17434509
N'-(1-ethyl-2-methylbenzimidazole-5-carbonyl)-2,4-dioxo-3-phenyl-1H-quinazoline-7-carbohydrazide
CID 24531761
N-(2-methoxyethyl)-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide
CID 17412668
N-(1-methylpyrazol-3-yl)-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide
CID 17494842
4-bromo-N-[1-[1-(3-oxobutan-2-yl)benzimidazol-2-yl]ethyl]benzamide
CID 17009461
2,4-dioxo-3-phenyl-N'-(pyridine-2-carbonyl)-1H-quinazoline-7-carbohydrazide
CID 24531731
2,4-dioxo-3-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1H-quinazoline-7-carboxamide
CID 24649182

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide?
The IUPAC name of N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide (CID 24597914) is N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide.
What is the SMILES notation for N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide?
The canonical SMILES for N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide is CC(NC(=O)c1ccc2c(=O)n(-c3ccccc3)c(=O)[nH]c2c1)c1nc2ccccc2n1C(F)F.
What is the InChIKey of N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide?
The InChIKey is FYFOTGSLXHIZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F2N5O3/c1-14(21-29-18-9-5-6-10-20(18)32(21)24(26)27)28-22(33)15-11-12-17-19(13-15)30-25(35)31(23(17)34)16-7-3-2-4-8-16/h2-14,24H,1H3,(H,28,33)(H,30,35).
What are the key properties of N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide?
N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide has a molecular weight of 475.46 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide is sourced from PubChem (CID 24597914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).