N-[2-(methoxymethyl)-3H-benzimidazol-5-yl]-2-(trifluoromethyl)benzamide

C17H14F3N3O2 — CID 141434696

IUPACN-[2-(methoxymethyl)-3H-benzimidazol-5-yl]-2-(trifluoromethyl)benzamide
SMILESCOCc1nc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1
InChIInChI=1S/C17H14F3N3O2/c1-25-9-15-22-13-7-6-10(8-14(13)23-15)21-16(24)11-4-2-3-5-12(11)17(18,19)20/h2-8H,9H2,1H3,(H,21,24)(H,22,23)
InChIKeyKBIVZANCUPBEFO-UHFFFAOYSA-N
MW349.31 g/mol
LogP3.98
Rot. Bonds4

About N-[2-(methoxymethyl)-3H-benzimidazol-5-yl]-2-(trifluoromethyl)benzamide

N-[2-(methoxymethyl)-3H-benzimidazol-5-yl]-2-(trifluoromethyl)benzamide (PubChem CID 141434696) has the molecular formula C17H14F3N3O2 and a molecular weight of 349.31 g/mol. Its IUPAC name is N-[2-(methoxymethyl)-3H-benzimidazol-5-yl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(methoxymethyl)-3H-benzimidazol-5-yl]-2-(trifluoromethyl)benzamide
PubChem CID141434696
Molecular FormulaC17H14F3N3O2
Molecular Weight349.31 g/mol
Exact Mass349.10
IUPAC NameN-[2-(methoxymethyl)-3H-benzimidazol-5-yl]-2-(trifluoromethyl)benzamide
SMILESCOCc1nc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1
InChIInChI=1S/C17H14F3N3O2/c1-25-9-15-22-13-7-6-10(8-14(13)23-15)21-16(24)11-4-2-3-5-12(11)17(18,19)20/h2-8H,9H2,1H3,(H,21,24)(H,22,23)
InChIKeyKBIVZANCUPBEFO-UHFFFAOYSA-N
XLogP3.98
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.31
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluorophenyl)-2-(methoxymethyl)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide
CID 71532252
2-(methoxymethyl)-N-(6-methyl-1,3-benzoxazol-2-yl)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide
CID 144531984
N-(1,1-dioxo-1-benzothiophen-6-yl)-2-(methoxymethyl)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide
CID 71267568
N-(2,4-dimethylphenyl)-2-(methoxymethyl)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide
CID 71267492
N-[2-(methoxymethyl)-3H-benzimidazol-5-yl]-2-phenylacetamide
CID 51044165
6-[amino-[2-(trifluoromethyl)benzoyl]amino]-2-(methoxymethyl)-N-phenyl-1H-benzimidazole-4-carboxamide
CID 174786730
N-(3-cyano-2-methylphenyl)-2-(methoxymethyl)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide
CID 71267520
N-[4-(aminomethyl)phenyl]-6-[amino-[2-(trifluoromethyl)benzoyl]amino]-2-(methoxymethyl)-1H-benzimidazole-4-carboxamide
CID 174786733
N-(2-ethyl-1,3-benzothiazol-6-yl)-2-(trifluoromethyl)benzamide
CID 30152626
2-chloro-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide
CID 46328977
2-(difluoromethyl)-N-[4-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]phenyl]benzamide;ethane
CID 171637730
N-(4-hydroxyphenyl)-2-(trifluoromethyl)benzamide
CID 28739363

Frequently Asked Questions

What is the IUPAC name of N-[2-(methoxymethyl)-3H-benzimidazol-5-yl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(methoxymethyl)-3H-benzimidazol-5-yl]-2-(trifluoromethyl)benzamide (CID 141434696) is N-[2-(methoxymethyl)-3H-benzimidazol-5-yl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(methoxymethyl)-3H-benzimidazol-5-yl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(methoxymethyl)-3H-benzimidazol-5-yl]-2-(trifluoromethyl)benzamide is COCc1nc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1.
What is the InChIKey of N-[2-(methoxymethyl)-3H-benzimidazol-5-yl]-2-(trifluoromethyl)benzamide?
The InChIKey is KBIVZANCUPBEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O2/c1-25-9-15-22-13-7-6-10(8-14(13)23-15)21-16(24)11-4-2-3-5-12(11)17(18,19)20/h2-8H,9H2,1H3,(H,21,24)(H,22,23).
What are the key properties of N-[2-(methoxymethyl)-3H-benzimidazol-5-yl]-2-(trifluoromethyl)benzamide?
N-[2-(methoxymethyl)-3H-benzimidazol-5-yl]-2-(trifluoromethyl)benzamide has a molecular weight of 349.31 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methoxymethyl)-3H-benzimidazol-5-yl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 141434696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).