2-[6-[[4-(trifluoromethyl)phenyl]methoxy]-1H-benzimidazol-2-yl]acetamide

C17H14F3N3O2 — CID 177377064

IUPAC2-[6-[[4-(trifluoromethyl)phenyl]methoxy]-1H-benzimidazol-2-yl]acetamide
SMILESNC(=O)Cc1nc2ccc(OCc3ccc(C(F)(F)F)cc3)cc2[nH]1
InChIInChI=1S/C17H14F3N3O2/c18-17(19,20)11-3-1-10(2-4-11)9-25-12-5-6-13-14(7-12)23-16(22-13)8-15(21)24/h1-7H,8-9H2,(H2,21,24)(H,22,23)
InChIKeyOOZGZIXRRVQDCP-UHFFFAOYSA-N
MW349.31 g/mol
LogP3.19
Rot. Bonds5

About 2-[6-[[4-(trifluoromethyl)phenyl]methoxy]-1H-benzimidazol-2-yl]acetamide

2-[6-[[4-(trifluoromethyl)phenyl]methoxy]-1H-benzimidazol-2-yl]acetamide (PubChem CID 177377064) has the molecular formula C17H14F3N3O2 and a molecular weight of 349.31 g/mol. Its IUPAC name is 2-[6-[[4-(trifluoromethyl)phenyl]methoxy]-1H-benzimidazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[6-[[4-(trifluoromethyl)phenyl]methoxy]-1H-benzimidazol-2-yl]acetamide
PubChem CID177377064
Molecular FormulaC17H14F3N3O2
Molecular Weight349.31 g/mol
Exact Mass349.10
IUPAC Name2-[6-[[4-(trifluoromethyl)phenyl]methoxy]-1H-benzimidazol-2-yl]acetamide
SMILESNC(=O)Cc1nc2ccc(OCc3ccc(C(F)(F)F)cc3)cc2[nH]1
InChIInChI=1S/C17H14F3N3O2/c18-17(19,20)11-3-1-10(2-4-11)9-25-12-5-6-13-14(7-12)23-16(22-13)8-15(21)24/h1-7H,8-9H2,(H2,21,24)(H,22,23)
InChIKeyOOZGZIXRRVQDCP-UHFFFAOYSA-N
XLogP3.19
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.31
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[6-[(4-fluorophenyl)methoxy]-1H-benzimidazol-2-yl]acetamide
CID 172638511
2-[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]acetamide
CID 60605202
4-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]benzoic acid
CID 69080781
methyl 3-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]benzoate
CID 69089344
1-[4-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]phenyl]ethanol
CID 24958716
2-(6-ethoxy-1H-benzimidazol-2-yl)acetic acid
CID 82331853
2-[4-[4-(trifluoromethyl)phenoxy]phenyl]acetamide
CID 23353620
4-[[4-(trifluoromethyl)phenyl]methoxy]benzoic acid
CID 43214876
[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl N-tert-butyl-N-methylcarbamate
CID 140657671
6-chloro-2-[[3-(trifluoromethyl)phenoxy]methyl]-1H-benzimidazole
CID 2112207
1,1,1-trifluoro-3-(6-hydroxy-1H-benzimidazol-2-yl)propan-2-one
CID 81431906
3-(6-phenylmethoxy-1H-benzimidazol-2-yl)benzamide
CID 4915123

Frequently Asked Questions

What is the IUPAC name of 2-[6-[[4-(trifluoromethyl)phenyl]methoxy]-1H-benzimidazol-2-yl]acetamide?
The IUPAC name of 2-[6-[[4-(trifluoromethyl)phenyl]methoxy]-1H-benzimidazol-2-yl]acetamide (CID 177377064) is 2-[6-[[4-(trifluoromethyl)phenyl]methoxy]-1H-benzimidazol-2-yl]acetamide.
What is the SMILES notation for 2-[6-[[4-(trifluoromethyl)phenyl]methoxy]-1H-benzimidazol-2-yl]acetamide?
The canonical SMILES for 2-[6-[[4-(trifluoromethyl)phenyl]methoxy]-1H-benzimidazol-2-yl]acetamide is NC(=O)Cc1nc2ccc(OCc3ccc(C(F)(F)F)cc3)cc2[nH]1.
What is the InChIKey of 2-[6-[[4-(trifluoromethyl)phenyl]methoxy]-1H-benzimidazol-2-yl]acetamide?
The InChIKey is OOZGZIXRRVQDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O2/c18-17(19,20)11-3-1-10(2-4-11)9-25-12-5-6-13-14(7-12)23-16(22-13)8-15(21)24/h1-7H,8-9H2,(H2,21,24)(H,22,23).
What are the key properties of 2-[6-[[4-(trifluoromethyl)phenyl]methoxy]-1H-benzimidazol-2-yl]acetamide?
2-[6-[[4-(trifluoromethyl)phenyl]methoxy]-1H-benzimidazol-2-yl]acetamide has a molecular weight of 349.31 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[[4-(trifluoromethyl)phenyl]methoxy]-1H-benzimidazol-2-yl]acetamide is sourced from PubChem (CID 177377064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).