4-chloro-3-methyl-6-(trifluoromethyl)-1H-benzimidazol-2-one

C9H6ClF3N2O — CID 5324659

IUPAC4-chloro-3-methyl-6-(trifluoromethyl)-1H-benzimidazol-2-one
SMILESCn1c(=O)[nH]c2cc(C(F)(F)F)cc(Cl)c21
InChIInChI=1S/C9H6ClF3N2O/c1-15-7-5(10)2-4(9(11,12)13)3-6(7)14-8(15)16/h2-3H,1H3,(H,14,16)
InChIKeyKSSDEFFKKHZKDB-UHFFFAOYSA-N
MW250.61 g/mol
LogP2.54
Rot. Bonds

About 4-chloro-3-methyl-6-(trifluoromethyl)-1H-benzimidazol-2-one

4-chloro-3-methyl-6-(trifluoromethyl)-1H-benzimidazol-2-one (PubChem CID 5324659) has the molecular formula C9H6ClF3N2O and a molecular weight of 250.61 g/mol. Its IUPAC name is 4-chloro-3-methyl-6-(trifluoromethyl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name4-chloro-3-methyl-6-(trifluoromethyl)-1H-benzimidazol-2-one
PubChem CID5324659
Molecular FormulaC9H6ClF3N2O
Molecular Weight250.61 g/mol
Exact Mass250.01
IUPAC Name4-chloro-3-methyl-6-(trifluoromethyl)-1H-benzimidazol-2-one
SMILESCn1c(=O)[nH]c2cc(C(F)(F)F)cc(Cl)c21
InChIInChI=1S/C9H6ClF3N2O/c1-15-7-5(10)2-4(9(11,12)13)3-6(7)14-8(15)16/h2-3H,1H3,(H,14,16)
InChIKeyKSSDEFFKKHZKDB-UHFFFAOYSA-N
XLogP2.54
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.61
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-4-fluoro-3-methyl-1H-benzimidazol-2-one
CID 137458512
6-(1-aminopropan-2-yl)-4-chloro-3-methyl-1H-benzimidazol-2-one
CID 83898652
1-methyl-6-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-dione
CID 130182854
4-hydroxy-5,7-bis(trifluoromethyl)-1H-quinoxaline-2,3-dione
CID 19990430
3-propan-2-yl-6-(trifluoromethyl)-1H-benzimidazol-2-one
CID 4555935
8-chloro-6-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 156808240
6-bromo-4-methoxy-3-methyl-1H-benzimidazol-2-one
CID 170790380
2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4,5-dimethyltriazole;N-methylmethanamine
CID 19988896
4,5-difluoro-3-methyl-1H-benzimidazol-2-one
CID 83415019
1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one
CID 22382014
3-[5-(3-chloro-4-methylphenyl)-2,4-dihydroxyphenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-one
CID 69444285
[2,6-dichloro-4-(trifluoromethyl)phenyl]boranuide
CID 172878584

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methyl-6-(trifluoromethyl)-1H-benzimidazol-2-one?
The IUPAC name of 4-chloro-3-methyl-6-(trifluoromethyl)-1H-benzimidazol-2-one (CID 5324659) is 4-chloro-3-methyl-6-(trifluoromethyl)-1H-benzimidazol-2-one.
What is the SMILES notation for 4-chloro-3-methyl-6-(trifluoromethyl)-1H-benzimidazol-2-one?
The canonical SMILES for 4-chloro-3-methyl-6-(trifluoromethyl)-1H-benzimidazol-2-one is Cn1c(=O)[nH]c2cc(C(F)(F)F)cc(Cl)c21.
What is the InChIKey of 4-chloro-3-methyl-6-(trifluoromethyl)-1H-benzimidazol-2-one?
The InChIKey is KSSDEFFKKHZKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClF3N2O/c1-15-7-5(10)2-4(9(11,12)13)3-6(7)14-8(15)16/h2-3H,1H3,(H,14,16).
What are the key properties of 4-chloro-3-methyl-6-(trifluoromethyl)-1H-benzimidazol-2-one?
4-chloro-3-methyl-6-(trifluoromethyl)-1H-benzimidazol-2-one has a molecular weight of 250.61 g/mol, XLogP of 2.54, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methyl-6-(trifluoromethyl)-1H-benzimidazol-2-one is sourced from PubChem (CID 5324659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).