3-chloro-4-methyl-N-[4-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]phenyl]benzamide

C22H15ClF3N3O2 — CID 20694848

IUPAC3-chloro-4-methyl-N-[4-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(-c3nc4ccc(OC(F)(F)F)cc4[nH]3)cc2)cc1Cl
InChIInChI=1S/C22H15ClF3N3O2/c1-12-2-3-14(10-17(12)23)21(30)27-15-6-4-13(5-7-15)20-28-18-9-8-16(11-19(18)29-20)31-22(24,25)26/h2-11H,1H3,(H,27,30)(H,28,29)
InChIKeyDADGOQLHPJVQTA-UHFFFAOYSA-N
MW445.83 g/mol
LogP6.34
Rot. Bonds4

About 3-chloro-4-methyl-N-[4-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]phenyl]benzamide

3-chloro-4-methyl-N-[4-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]phenyl]benzamide (PubChem CID 20694848) has the molecular formula C22H15ClF3N3O2 and a molecular weight of 445.83 g/mol. Its IUPAC name is 3-chloro-4-methyl-N-[4-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-methyl-N-[4-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]phenyl]benzamide
PubChem CID20694848
Molecular FormulaC22H15ClF3N3O2
Molecular Weight445.83 g/mol
Exact Mass445.08
IUPAC Name3-chloro-4-methyl-N-[4-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(-c3nc4ccc(OC(F)(F)F)cc4[nH]3)cc2)cc1Cl
InChIInChI=1S/C22H15ClF3N3O2/c1-12-2-3-14(10-17(12)23)21(30)27-15-6-4-13(5-7-15)20-28-18-9-8-16(11-19(18)29-20)31-22(24,25)26/h2-11H,1H3,(H,27,30)(H,28,29)
InChIKeyDADGOQLHPJVQTA-UHFFFAOYSA-N
XLogP6.34
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.83
LogP ≤ 56.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methyl-N-[4-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]phenyl]benzamide?
The IUPAC name of 3-chloro-4-methyl-N-[4-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]phenyl]benzamide (CID 20694848) is 3-chloro-4-methyl-N-[4-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]phenyl]benzamide.
What is the SMILES notation for 3-chloro-4-methyl-N-[4-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]phenyl]benzamide?
The canonical SMILES for 3-chloro-4-methyl-N-[4-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]phenyl]benzamide is Cc1ccc(C(=O)Nc2ccc(-c3nc4ccc(OC(F)(F)F)cc4[nH]3)cc2)cc1Cl.
What is the InChIKey of 3-chloro-4-methyl-N-[4-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]phenyl]benzamide?
The InChIKey is DADGOQLHPJVQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClF3N3O2/c1-12-2-3-14(10-17(12)23)21(30)27-15-6-4-13(5-7-15)20-28-18-9-8-16(11-19(18)29-20)31-22(24,25)26/h2-11H,1H3,(H,27,30)(H,28,29).
What are the key properties of 3-chloro-4-methyl-N-[4-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]phenyl]benzamide?
3-chloro-4-methyl-N-[4-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]phenyl]benzamide has a molecular weight of 445.83 g/mol, XLogP of 6.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methyl-N-[4-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]phenyl]benzamide is sourced from PubChem (CID 20694848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).