[2-(4-phenylmethoxyphenyl)-3H-benzimidazol-5-yl]-[2-(trifluoromethyl)phenyl]methanone

C28H19F3N2O2 — CID 71567943

IUPAC[2-(4-phenylmethoxyphenyl)-3H-benzimidazol-5-yl]-[2-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc2nc(-c3ccc(OCc4ccccc4)cc3)[nH]c2c1)c1ccccc1C(F)(F)F
InChIInChI=1S/C28H19F3N2O2/c29-28(30,31)23-9-5-4-8-22(23)26(34)20-12-15-24-25(16-20)33-27(32-24)19-10-13-21(14-11-19)35-17-18-6-2-1-3-7-18/h1-16H,17H2,(H,32,33)
InChIKeyUHQKPUHMBPUMTP-UHFFFAOYSA-N
MW472.47 g/mol
LogP7.06
Rot. Bonds6

About [2-(4-phenylmethoxyphenyl)-3H-benzimidazol-5-yl]-[2-(trifluoromethyl)phenyl]methanone

[2-(4-phenylmethoxyphenyl)-3H-benzimidazol-5-yl]-[2-(trifluoromethyl)phenyl]methanone (PubChem CID 71567943) has the molecular formula C28H19F3N2O2 and a molecular weight of 472.47 g/mol. Its IUPAC name is [2-(4-phenylmethoxyphenyl)-3H-benzimidazol-5-yl]-[2-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[2-(4-phenylmethoxyphenyl)-3H-benzimidazol-5-yl]-[2-(trifluoromethyl)phenyl]methanone
PubChem CID71567943
Molecular FormulaC28H19F3N2O2
Molecular Weight472.47 g/mol
Exact Mass472.14
IUPAC Name[2-(4-phenylmethoxyphenyl)-3H-benzimidazol-5-yl]-[2-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc2nc(-c3ccc(OCc4ccccc4)cc3)[nH]c2c1)c1ccccc1C(F)(F)F
InChIInChI=1S/C28H19F3N2O2/c29-28(30,31)23-9-5-4-8-22(23)26(34)20-12-15-24-25(16-20)33-27(32-24)19-10-13-21(14-11-19)35-17-18-6-2-1-3-7-18/h1-16H,17H2,(H,32,33)
InChIKeyUHQKPUHMBPUMTP-UHFFFAOYSA-N
XLogP7.06
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.47
LogP ≤ 57.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-(4-chlorophenoxy)phenyl)-1H-benzimidazole-5-carboxamide
CID 9969021
2-(4-(piperidin-4-ylmethoxy)phenyl)-1H-benzo[d]imidazole-5-carboxamide
CID 11501187
2-(4-{[1-(4-Chlorobenzyl)piperidin-4-Yl]methoxy}phenyl)-1h-Benzimidazole-5-Carboxamide
CID 11518511
2-{4-[(1-Benzylpiperidin-4-YL)methoxy]phenyl}-1H-benzimidazole-6-carboxamide
CID 11524997
Benzimidazole-urea, 47
CID 17755232
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
2-[4-[(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methoxy]phenyl]-1H-benzimidazole-4-carboxamide
CID 11257801
Ketone, 1-(2-(diethylamino)ethyl)-2-(p-ethoxybenzyl)-5-benzimidazolyl methyl
CID 25957
2-(4-(3-Hydroxyphenoxy)phenyl)-1h-Benzo[d]imidazole-5-Carboxamide
CID 11371378
2-(5-{4-[amino(Imino)methyl]phenyl}-2-Furyl)-1h-Benzimidazole-5-Carboximidamide
CID 459929
2-(4-methoxyphenylamino)-1-(2-(trifluoromethyl)benzyl)-1H-benzo[d]imidazole-5-carboxylic acid
CID 25164463
N-(1H-benzimidazol-2-yl)-4-(difluoromethoxy)benzamide
CID 2583265

Frequently Asked Questions

What is the IUPAC name of [2-(4-phenylmethoxyphenyl)-3H-benzimidazol-5-yl]-[2-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [2-(4-phenylmethoxyphenyl)-3H-benzimidazol-5-yl]-[2-(trifluoromethyl)phenyl]methanone (CID 71567943) is [2-(4-phenylmethoxyphenyl)-3H-benzimidazol-5-yl]-[2-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [2-(4-phenylmethoxyphenyl)-3H-benzimidazol-5-yl]-[2-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [2-(4-phenylmethoxyphenyl)-3H-benzimidazol-5-yl]-[2-(trifluoromethyl)phenyl]methanone is O=C(c1ccc2nc(-c3ccc(OCc4ccccc4)cc3)[nH]c2c1)c1ccccc1C(F)(F)F.
What is the InChIKey of [2-(4-phenylmethoxyphenyl)-3H-benzimidazol-5-yl]-[2-(trifluoromethyl)phenyl]methanone?
The InChIKey is UHQKPUHMBPUMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19F3N2O2/c29-28(30,31)23-9-5-4-8-22(23)26(34)20-12-15-24-25(16-20)33-27(32-24)19-10-13-21(14-11-19)35-17-18-6-2-1-3-7-18/h1-16H,17H2,(H,32,33).
What are the key properties of [2-(4-phenylmethoxyphenyl)-3H-benzimidazol-5-yl]-[2-(trifluoromethyl)phenyl]methanone?
[2-(4-phenylmethoxyphenyl)-3H-benzimidazol-5-yl]-[2-(trifluoromethyl)phenyl]methanone has a molecular weight of 472.47 g/mol, XLogP of 7.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-phenylmethoxyphenyl)-3H-benzimidazol-5-yl]-[2-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 71567943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).