N-ethyl-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]oxolan-3-amine

C14H16F3N3O — CID 81456210

IUPACN-ethyl-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]oxolan-3-amine
SMILESCCNC1COCC1c1nc2ccc(C(F)(F)F)cc2[nH]1
InChIInChI=1S/C14H16F3N3O/c1-2-18-12-7-21-6-9(12)13-19-10-4-3-8(14(15,16)17)5-11(10)20-13/h3-5,9,12,18H,2,6-7H2,1H3,(H,19,20)
InChIKeyCERXHWYWUBSZTL-UHFFFAOYSA-N
MW299.30 g/mol
LogP2.67
Rot. Bonds3

About N-ethyl-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]oxolan-3-amine

N-ethyl-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]oxolan-3-amine (PubChem CID 81456210) has the molecular formula C14H16F3N3O and a molecular weight of 299.30 g/mol. Its IUPAC name is N-ethyl-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]oxolan-3-amine.

Molecular Properties

Compound NameN-ethyl-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]oxolan-3-amine
PubChem CID81456210
Molecular FormulaC14H16F3N3O
Molecular Weight299.30 g/mol
Exact Mass299.12
IUPAC NameN-ethyl-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]oxolan-3-amine
SMILESCCNC1COCC1c1nc2ccc(C(F)(F)F)cc2[nH]1
InChIInChI=1S/C14H16F3N3O/c1-2-18-12-7-21-6-9(12)13-19-10-4-3-8(14(15,16)17)5-11(10)20-13/h3-5,9,12,18H,2,6-7H2,1H3,(H,19,20)
InChIKeyCERXHWYWUBSZTL-UHFFFAOYSA-N
XLogP2.67
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]oxolan-3-amine?
The IUPAC name of N-ethyl-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]oxolan-3-amine (CID 81456210) is N-ethyl-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]oxolan-3-amine.
What is the SMILES notation for N-ethyl-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]oxolan-3-amine?
The canonical SMILES for N-ethyl-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]oxolan-3-amine is CCNC1COCC1c1nc2ccc(C(F)(F)F)cc2[nH]1.
What is the InChIKey of N-ethyl-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]oxolan-3-amine?
The InChIKey is CERXHWYWUBSZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O/c1-2-18-12-7-21-6-9(12)13-19-10-4-3-8(14(15,16)17)5-11(10)20-13/h3-5,9,12,18H,2,6-7H2,1H3,(H,19,20).
What are the key properties of N-ethyl-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]oxolan-3-amine?
N-ethyl-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]oxolan-3-amine has a molecular weight of 299.30 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]oxolan-3-amine is sourced from PubChem (CID 81456210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).