N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-4-(trifluoromethoxy)benzamide

C19H16F3N3O3 — CID 47825987

IUPACN-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-4-(trifluoromethoxy)benzamide
SMILESO=C(Nc1ccc2nc(C3CCCO3)[nH]c2c1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C19H16F3N3O3/c20-19(21,22)28-13-6-3-11(4-7-13)18(26)23-12-5-8-14-15(10-12)25-17(24-14)16-2-1-9-27-16/h3-8,10,16H,1-2,9H2,(H,23,26)(H,24,25)
InChIKeyZGEKATFSOOZTFN-UHFFFAOYSA-N
MW391.35 g/mol
LogP4.57
Rot. Bonds4

About N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-4-(trifluoromethoxy)benzamide

N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-4-(trifluoromethoxy)benzamide (PubChem CID 47825987) has the molecular formula C19H16F3N3O3 and a molecular weight of 391.35 g/mol. Its IUPAC name is N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-4-(trifluoromethoxy)benzamide
PubChem CID47825987
Molecular FormulaC19H16F3N3O3
Molecular Weight391.35 g/mol
Exact Mass391.11
IUPAC NameN-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-4-(trifluoromethoxy)benzamide
SMILESO=C(Nc1ccc2nc(C3CCCO3)[nH]c2c1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C19H16F3N3O3/c20-19(21,22)28-13-6-3-11(4-7-13)18(26)23-12-5-8-14-15(10-12)25-17(24-14)16-2-1-9-27-16/h3-8,10,16H,1-2,9H2,(H,23,26)(H,24,25)
InChIKeyZGEKATFSOOZTFN-UHFFFAOYSA-N
XLogP4.57
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.35
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1H-pyrrole-2-carboxamide
CID 71936234
2-(4-chlorophenoxy)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide
CID 47826024
2-(cyclopropylmethylamino)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide
CID 119860392
N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]piperidine-4-carboxamide;dihydrochloride
CID 119860353
2-amino-2-(oxan-4-yl)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide;dihydrochloride
CID 120798817
(2S)-2-amino-3-methyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]butanamide
CID 119860394
2-methyl-3-(methylamino)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]propanamide
CID 119860398
(2S)-2-amino-3-methyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]butanamide;dihydrochloride
CID 119860393
4-amino-3-methoxy-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]butanamide;dihydrochloride
CID 120595805
N-(2-cyclohexyl-3H-benzimidazol-5-yl)-4-(difluoromethoxy)benzamide
CID 118096524
3-methyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1-benzofuran-2-carboxamide
CID 47825946
2-amino-3-methyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]pentanamide;dihydrochloride
CID 119860409

Frequently Asked Questions

What is the IUPAC name of N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-4-(trifluoromethoxy)benzamide (CID 47825987) is N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-4-(trifluoromethoxy)benzamide is O=C(Nc1ccc2nc(C3CCCO3)[nH]c2c1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-4-(trifluoromethoxy)benzamide?
The InChIKey is ZGEKATFSOOZTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O3/c20-19(21,22)28-13-6-3-11(4-7-13)18(26)23-12-5-8-14-15(10-12)25-17(24-14)16-2-1-9-27-16/h3-8,10,16H,1-2,9H2,(H,23,26)(H,24,25).
What are the key properties of N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-4-(trifluoromethoxy)benzamide?
N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-4-(trifluoromethoxy)benzamide has a molecular weight of 391.35 g/mol, XLogP of 4.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 47825987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).