2-(difluoromethoxy)-3-methoxy-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]benzamide

C24H18F5N3O3 — CID 55520524

IUPAC2-(difluoromethoxy)-3-methoxy-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]benzamide
SMILESCOc1cccc(C(=O)NC(c2ccccc2)c2ccc3nc(C(F)(F)F)[nH]c3c2)c1OC(F)F
InChIInChI=1S/C24H18F5N3O3/c1-34-18-9-5-8-15(20(18)35-23(25)26)21(33)32-19(13-6-3-2-4-7-13)14-10-11-16-17(12-14)31-22(30-16)24(27,28)29/h2-12,19,23H,1H3,(H,30,31)(H,32,33)
InChIKeyWOVUNAZWAAYXKR-UHFFFAOYSA-N
MW491.42 g/mol
LogP5.71
Rot. Bonds7

About 2-(difluoromethoxy)-3-methoxy-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]benzamide

2-(difluoromethoxy)-3-methoxy-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]benzamide (PubChem CID 55520524) has the molecular formula C24H18F5N3O3 and a molecular weight of 491.42 g/mol. Its IUPAC name is 2-(difluoromethoxy)-3-methoxy-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]benzamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-3-methoxy-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]benzamide
PubChem CID55520524
Molecular FormulaC24H18F5N3O3
Molecular Weight491.42 g/mol
Exact Mass491.13
IUPAC Name2-(difluoromethoxy)-3-methoxy-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]benzamide
SMILESCOc1cccc(C(=O)NC(c2ccccc2)c2ccc3nc(C(F)(F)F)[nH]c3c2)c1OC(F)F
InChIInChI=1S/C24H18F5N3O3/c1-34-18-9-5-8-15(20(18)35-23(25)26)21(33)32-19(13-6-3-2-4-7-13)14-10-11-16-17(12-14)31-22(30-16)24(27,28)29/h2-12,19,23H,1H3,(H,30,31)(H,32,33)
InChIKeyWOVUNAZWAAYXKR-UHFFFAOYSA-N
XLogP5.71
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.42
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-3-methoxy-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]benzamide?
The IUPAC name of 2-(difluoromethoxy)-3-methoxy-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]benzamide (CID 55520524) is 2-(difluoromethoxy)-3-methoxy-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]benzamide.
What is the SMILES notation for 2-(difluoromethoxy)-3-methoxy-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]benzamide?
The canonical SMILES for 2-(difluoromethoxy)-3-methoxy-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]benzamide is COc1cccc(C(=O)NC(c2ccccc2)c2ccc3nc(C(F)(F)F)[nH]c3c2)c1OC(F)F.
What is the InChIKey of 2-(difluoromethoxy)-3-methoxy-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]benzamide?
The InChIKey is WOVUNAZWAAYXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F5N3O3/c1-34-18-9-5-8-15(20(18)35-23(25)26)21(33)32-19(13-6-3-2-4-7-13)14-10-11-16-17(12-14)31-22(30-16)24(27,28)29/h2-12,19,23H,1H3,(H,30,31)(H,32,33).
What are the key properties of 2-(difluoromethoxy)-3-methoxy-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]benzamide?
2-(difluoromethoxy)-3-methoxy-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]benzamide has a molecular weight of 491.42 g/mol, XLogP of 5.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-3-methoxy-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]benzamide is sourced from PubChem (CID 55520524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).