1-[2-chloro-6-(trifluoromethyl)benzoyl]-3-(2-fluorophenyl)benzimidazol-2-one

C21H11ClF4N2O2 — CID 118007769

IUPAC1-[2-chloro-6-(trifluoromethyl)benzoyl]-3-(2-fluorophenyl)benzimidazol-2-one
SMILESO=C(c1c(Cl)cccc1C(F)(F)F)n1c(=O)n(-c2ccccc2F)c2ccccc21
InChIInChI=1S/C21H11ClF4N2O2/c22-13-7-5-6-12(21(24,25)26)18(13)19(29)28-17-11-4-3-10-16(17)27(20(28)30)15-9-2-1-8-14(15)23/h1-11H
InChIKeyYSSMOFCOSSHWTQ-UHFFFAOYSA-N
MW434.78 g/mol
LogP5.29
Rot. Bonds2

About 1-[2-chloro-6-(trifluoromethyl)benzoyl]-3-(2-fluorophenyl)benzimidazol-2-one

1-[2-chloro-6-(trifluoromethyl)benzoyl]-3-(2-fluorophenyl)benzimidazol-2-one (PubChem CID 118007769) has the molecular formula C21H11ClF4N2O2 and a molecular weight of 434.78 g/mol. Its IUPAC name is 1-[2-chloro-6-(trifluoromethyl)benzoyl]-3-(2-fluorophenyl)benzimidazol-2-one.

Molecular Properties

Compound Name1-[2-chloro-6-(trifluoromethyl)benzoyl]-3-(2-fluorophenyl)benzimidazol-2-one
PubChem CID118007769
Molecular FormulaC21H11ClF4N2O2
Molecular Weight434.78 g/mol
Exact Mass434.04
IUPAC Name1-[2-chloro-6-(trifluoromethyl)benzoyl]-3-(2-fluorophenyl)benzimidazol-2-one
SMILESO=C(c1c(Cl)cccc1C(F)(F)F)n1c(=O)n(-c2ccccc2F)c2ccccc21
InChIInChI=1S/C21H11ClF4N2O2/c22-13-7-5-6-12(21(24,25)26)18(13)19(29)28-17-11-4-3-10-16(17)27(20(28)30)15-9-2-1-8-14(15)23/h1-11H
InChIKeyYSSMOFCOSSHWTQ-UHFFFAOYSA-N
XLogP5.29
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.78
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(2,6-dichlorobenzoyl)-2-oxobenzimidazol-1-yl]benzoic acid
CID 118007646
[2-chloro-6-(trifluoromethyl)phenyl]-(3-methylindazol-1-yl)methanone;ethane
CID 144574802
4-[3-[2-chloro-6-(trifluoromethyl)benzoyl]-4-fluoroindol-1-yl]-3-fluorobenzoic acid
CID 155564665
4-[1-[2-chloro-6-(trifluoromethyl)benzoyl]-4-fluoroindazol-3-yl]-3-fluorobenzoic acid
CID 88920218
[2-chloro-6-(trifluoromethyl)phenyl]-[4-fluoro-3-(3-fluoro-5-hydroxyphenyl)indazol-1-yl]methanone
CID 141356037
1-[1-[2-chloro-6-(trifluoromethyl)benzoyl]-4-fluoroindazol-3-yl]pyrrolidine-3-carboxylic acid
CID 73293787
2-chloro-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-6-(trifluoromethyl)benzamide
CID 166358082
4-[3-[2-chloro-6-(trifluoromethyl)benzoyl]indazol-1-yl]-3-fluorobenzoic acid
CID 118142070
[2-chloro-6-(trifluoromethyl)phenyl]-[3-(3-fluorophenyl)pyrazolo[4,3-b]pyridin-1-yl]methanone
CID 141356032
benzotriazol-1-yl-(2-chloro-6-fluorophenyl)methanone
CID 793683
2-[1-[1-[2-chloro-6-(trifluoromethyl)benzoyl]-4-fluoroindazol-3-yl]piperidin-4-yl]acetic acid
CID 73293972
4-[1-[2-chloro-6-(trifluoromethyl)benzoyl]pyrazolo[4,3-b]pyridin-3-yl]-2,5-difluorobenzoic acid
CID 88920221

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-6-(trifluoromethyl)benzoyl]-3-(2-fluorophenyl)benzimidazol-2-one?
The IUPAC name of 1-[2-chloro-6-(trifluoromethyl)benzoyl]-3-(2-fluorophenyl)benzimidazol-2-one (CID 118007769) is 1-[2-chloro-6-(trifluoromethyl)benzoyl]-3-(2-fluorophenyl)benzimidazol-2-one.
What is the SMILES notation for 1-[2-chloro-6-(trifluoromethyl)benzoyl]-3-(2-fluorophenyl)benzimidazol-2-one?
The canonical SMILES for 1-[2-chloro-6-(trifluoromethyl)benzoyl]-3-(2-fluorophenyl)benzimidazol-2-one is O=C(c1c(Cl)cccc1C(F)(F)F)n1c(=O)n(-c2ccccc2F)c2ccccc21.
What is the InChIKey of 1-[2-chloro-6-(trifluoromethyl)benzoyl]-3-(2-fluorophenyl)benzimidazol-2-one?
The InChIKey is YSSMOFCOSSHWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H11ClF4N2O2/c22-13-7-5-6-12(21(24,25)26)18(13)19(29)28-17-11-4-3-10-16(17)27(20(28)30)15-9-2-1-8-14(15)23/h1-11H.
What are the key properties of 1-[2-chloro-6-(trifluoromethyl)benzoyl]-3-(2-fluorophenyl)benzimidazol-2-one?
1-[2-chloro-6-(trifluoromethyl)benzoyl]-3-(2-fluorophenyl)benzimidazol-2-one has a molecular weight of 434.78 g/mol, XLogP of 5.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-6-(trifluoromethyl)benzoyl]-3-(2-fluorophenyl)benzimidazol-2-one is sourced from PubChem (CID 118007769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).