N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]oxolane-3-carboxamide

C15H16F3N3O2 — CID 118778674

IUPACN-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]oxolane-3-carboxamide
SMILESCn1c(CNC(=O)C2CCOC2)nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C15H16F3N3O2/c1-21-12-3-2-10(15(16,17)18)6-11(12)20-13(21)7-19-14(22)9-4-5-23-8-9/h2-3,6,9H,4-5,7-8H2,1H3,(H,19,22)
InChIKeyUUKCLGSVGHVIOG-UHFFFAOYSA-N
MW327.31 g/mol
LogP2.24
Rot. Bonds3

About N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]oxolane-3-carboxamide

N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]oxolane-3-carboxamide (PubChem CID 118778674) has the molecular formula C15H16F3N3O2 and a molecular weight of 327.31 g/mol. Its IUPAC name is N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]oxolane-3-carboxamide
PubChem CID118778674
Molecular FormulaC15H16F3N3O2
Molecular Weight327.31 g/mol
Exact Mass327.12
IUPAC NameN-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]oxolane-3-carboxamide
SMILESCn1c(CNC(=O)C2CCOC2)nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C15H16F3N3O2/c1-21-12-3-2-10(15(16,17)18)6-11(12)20-13(21)7-19-14(22)9-4-5-23-8-9/h2-3,6,9H,4-5,7-8H2,1H3,(H,19,22)
InChIKeyUUKCLGSVGHVIOG-UHFFFAOYSA-N
XLogP2.24
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]oxolane-3-carboxamide?
The IUPAC name of N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]oxolane-3-carboxamide (CID 118778674) is N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]oxolane-3-carboxamide.
What is the SMILES notation for N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]oxolane-3-carboxamide?
The canonical SMILES for N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]oxolane-3-carboxamide is Cn1c(CNC(=O)C2CCOC2)nc2cc(C(F)(F)F)ccc21.
What is the InChIKey of N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]oxolane-3-carboxamide?
The InChIKey is UUKCLGSVGHVIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O2/c1-21-12-3-2-10(15(16,17)18)6-11(12)20-13(21)7-19-14(22)9-4-5-23-8-9/h2-3,6,9H,4-5,7-8H2,1H3,(H,19,22).
What are the key properties of N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]oxolane-3-carboxamide?
N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]oxolane-3-carboxamide has a molecular weight of 327.31 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]oxolane-3-carboxamide is sourced from PubChem (CID 118778674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).