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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Related Compounds

2,2,2-trifluoro-1-[4-[7-(2-methyl-3H-benzimidazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl]phenyl]ethanone
CID 46940004
1-butyl-N-(2,3-dimethoxybenzyl)-2-(3,4,5-trimethoxyphenyl)-1H-benzo[d]imidazole-5-carboxamide
CID 45270738
N-(1H-benzimidazol-2-yl)-2-(difluoromethoxy)benzamide
CID 2127514
N-(1H-benzimidazol-2-ylmethyl)-3,4-dimethoxybenzamide
CID 751094
3,4-dimethoxy-N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide
CID 1262390
2-{2-[3-(dimethylamino)propyl]-1H-benzimidazol-5-yl}-7,8-dimethoxy-4H-chromen-4-one
CID 10158306
2-[4-(3-Diethylcarbamoyl-phenoxy)-phenyl]-1H-benzoimidazole-5-carboxylic acid amide
CID 10274172
N-[2-(1H-benzimidazol-2-yl)phenyl]-3,4-dimethoxybenzamide
CID 17497689
N-(2-cyclopropylethyl)-2-[4-[2-(trifluoromethyl)phenoxy]phenyl]-3H-benzimidazole-5-carboxamide
CID 25192508
1-[(2-methoxyphenyl)methyl]-N-[(1R)-1-phenylpropyl]-1H-1,3-benzodiazole-5-carboxamide
CID 44132012
(4-(1H-benzo[d]imidazol-2-yl)piperidin-1-yl)(3-methoxybiphenyl-4-yl)methanone
CID 44565606
(4-(1H-benzo[d]imidazol-2-yl)piperidin-1-yl)(4''-(trifluoromethoxy)biphenyl-4-yl)methanone
CID 44565824

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).