8-(3H-benzimidazol-5-yl)-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one

C24H14F3N5O — CID 118087322

IUPAC8-(3H-benzimidazol-5-yl)-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one
SMILESO=c1[nH]c2cnc3ccc(-c4ccc5nc[nH]c5c4)cc3c2n1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H14F3N5O/c25-24(26,27)15-2-1-3-16(10-15)32-22-17-8-13(14-5-7-19-20(9-14)30-12-29-19)4-6-18(17)28-11-21(22)31-23(32)33/h1-12H,(H,29,30)(H,31,33)
InChIKeyHBNMIHSTSUNLFV-UHFFFAOYSA-N
MW445.40 g/mol
LogP5.43
Rot. Bonds2

About 8-(3H-benzimidazol-5-yl)-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one

8-(3H-benzimidazol-5-yl)-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one (PubChem CID 118087322) has the molecular formula C24H14F3N5O and a molecular weight of 445.40 g/mol. Its IUPAC name is 8-(3H-benzimidazol-5-yl)-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name8-(3H-benzimidazol-5-yl)-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one
PubChem CID118087322
Molecular FormulaC24H14F3N5O
Molecular Weight445.40 g/mol
Exact Mass445.12
IUPAC Name8-(3H-benzimidazol-5-yl)-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one
SMILESO=c1[nH]c2cnc3ccc(-c4ccc5nc[nH]c5c4)cc3c2n1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H14F3N5O/c25-24(26,27)15-2-1-3-16(10-15)32-22-17-8-13(14-5-7-19-20(9-14)30-12-29-19)4-6-18(17)28-11-21(22)31-23(32)33/h1-12H,(H,29,30)(H,31,33)
InChIKeyHBNMIHSTSUNLFV-UHFFFAOYSA-N
XLogP5.43
TPSA79.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.40
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(3H-benzimidazol-5-yl)-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 8-(3H-benzimidazol-5-yl)-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one (CID 118087322) is 8-(3H-benzimidazol-5-yl)-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 8-(3H-benzimidazol-5-yl)-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 8-(3H-benzimidazol-5-yl)-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one is O=c1[nH]c2cnc3ccc(-c4ccc5nc[nH]c5c4)cc3c2n1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 8-(3H-benzimidazol-5-yl)-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one?
The InChIKey is HBNMIHSTSUNLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14F3N5O/c25-24(26,27)15-2-1-3-16(10-15)32-22-17-8-13(14-5-7-19-20(9-14)30-12-29-19)4-6-18(17)28-11-21(22)31-23(32)33/h1-12H,(H,29,30)(H,31,33).
What are the key properties of 8-(3H-benzimidazol-5-yl)-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one?
8-(3H-benzimidazol-5-yl)-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one has a molecular weight of 445.40 g/mol, XLogP of 5.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3H-benzimidazol-5-yl)-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 118087322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).