2-[2-(trifluoromethyl)-1H-benzimidazol-4-yl]-3H-quinazolin-4-one

C16H9F3N4O — CID 168553191

IUPAC2-[2-(trifluoromethyl)-1H-benzimidazol-4-yl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2cccc3[nH]c(C(F)(F)F)nc23)nc2ccccc12
InChIInChI=1S/C16H9F3N4O/c17-16(18,19)15-21-11-7-3-5-9(12(11)22-15)13-20-10-6-2-1-4-8(10)14(24)23-13/h1-7H,(H,21,22)(H,20,23,24)
InChIKeyMQAQZUZSBLTSCB-UHFFFAOYSA-N
MW330.27 g/mol
LogP3.49
Rot. Bonds1

About 2-[2-(trifluoromethyl)-1H-benzimidazol-4-yl]-3H-quinazolin-4-one

2-[2-(trifluoromethyl)-1H-benzimidazol-4-yl]-3H-quinazolin-4-one (PubChem CID 168553191) has the molecular formula C16H9F3N4O and a molecular weight of 330.27 g/mol. Its IUPAC name is 2-[2-(trifluoromethyl)-1H-benzimidazol-4-yl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[2-(trifluoromethyl)-1H-benzimidazol-4-yl]-3H-quinazolin-4-one
PubChem CID168553191
Molecular FormulaC16H9F3N4O
Molecular Weight330.27 g/mol
Exact Mass330.07
IUPAC Name2-[2-(trifluoromethyl)-1H-benzimidazol-4-yl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2cccc3[nH]c(C(F)(F)F)nc23)nc2ccccc12
InChIInChI=1S/C16H9F3N4O/c17-16(18,19)15-21-11-7-3-5-9(12(11)22-15)13-20-10-6-2-1-4-8(10)14(24)23-13/h1-7H,(H,21,22)(H,20,23,24)
InChIKeyMQAQZUZSBLTSCB-UHFFFAOYSA-N
XLogP3.49
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(trifluoromethyl)phenyl]-3H-quinazolin-4-one
CID 135597700
2-naphthalen-1-yl-3H-quinazolin-4-one
CID 135437423
2-[2-(1,1,2,2,2-pentafluoroethyl)phenyl]-3H-quinazolin-4-one
CID 168553277
2-(1H-indol-4-yl)-3H-quinazolin-4-one
CID 168550804
2-(4-oxo-3H-quinazolin-2-yl)-3H-quinazolin-4-one
CID 135465251
2-[3-(trifluoromethyl)-1-benzothiophen-4-yl]-3H-quinazolin-4-one
CID 168552920
2-(3-chloro-2-fluorophenyl)-3H-quinazolin-4-one
CID 168511648
2-[5-chloro-2-(trifluoromethyl)phenyl]-3H-quinazolin-4-one
CID 168550858
2-amino-3-(4-oxo-3H-quinazolin-2-yl)benzoic acid
CID 162513899
2-(2-bromo-5-fluorophenyl)-3H-quinazolin-4-one
CID 168550701
2-(2-cyclopropylphenyl)-3H-quinazolin-4-one
CID 168551670
2-[3-(difluoromethoxy)-2-fluorophenyl]-3H-quinazolin-4-one
CID 168552872

Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethyl)-1H-benzimidazol-4-yl]-3H-quinazolin-4-one?
The IUPAC name of 2-[2-(trifluoromethyl)-1H-benzimidazol-4-yl]-3H-quinazolin-4-one (CID 168553191) is 2-[2-(trifluoromethyl)-1H-benzimidazol-4-yl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[2-(trifluoromethyl)-1H-benzimidazol-4-yl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[2-(trifluoromethyl)-1H-benzimidazol-4-yl]-3H-quinazolin-4-one is O=c1[nH]c(-c2cccc3[nH]c(C(F)(F)F)nc23)nc2ccccc12.
What is the InChIKey of 2-[2-(trifluoromethyl)-1H-benzimidazol-4-yl]-3H-quinazolin-4-one?
The InChIKey is MQAQZUZSBLTSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F3N4O/c17-16(18,19)15-21-11-7-3-5-9(12(11)22-15)13-20-10-6-2-1-4-8(10)14(24)23-13/h1-7H,(H,21,22)(H,20,23,24).
What are the key properties of 2-[2-(trifluoromethyl)-1H-benzimidazol-4-yl]-3H-quinazolin-4-one?
2-[2-(trifluoromethyl)-1H-benzimidazol-4-yl]-3H-quinazolin-4-one has a molecular weight of 330.27 g/mol, XLogP of 3.49, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethyl)-1H-benzimidazol-4-yl]-3H-quinazolin-4-one is sourced from PubChem (CID 168553191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).