1-[2-(oxolan-2-yl)ethyl]-5-(trifluoromethyl)benzimidazol-2-amine

C14H16F3N3O — CID 115502056

IUPAC1-[2-(oxolan-2-yl)ethyl]-5-(trifluoromethyl)benzimidazol-2-amine
SMILESNc1nc2cc(C(F)(F)F)ccc2n1CCC1CCCO1
InChIInChI=1S/C14H16F3N3O/c15-14(16,17)9-3-4-12-11(8-9)19-13(18)20(12)6-5-10-2-1-7-21-10/h3-4,8,10H,1-2,5-7H2,(H2,18,19)
InChIKeyLWWWQJODGGJZMF-UHFFFAOYSA-N
MW299.30 g/mol
LogP3.21
Rot. Bonds3

About 1-[2-(oxolan-2-yl)ethyl]-5-(trifluoromethyl)benzimidazol-2-amine

1-[2-(oxolan-2-yl)ethyl]-5-(trifluoromethyl)benzimidazol-2-amine (PubChem CID 115502056) has the molecular formula C14H16F3N3O and a molecular weight of 299.30 g/mol. Its IUPAC name is 1-[2-(oxolan-2-yl)ethyl]-5-(trifluoromethyl)benzimidazol-2-amine.

Molecular Properties

Compound Name1-[2-(oxolan-2-yl)ethyl]-5-(trifluoromethyl)benzimidazol-2-amine
PubChem CID115502056
Molecular FormulaC14H16F3N3O
Molecular Weight299.30 g/mol
Exact Mass299.12
IUPAC Name1-[2-(oxolan-2-yl)ethyl]-5-(trifluoromethyl)benzimidazol-2-amine
SMILESNc1nc2cc(C(F)(F)F)ccc2n1CCC1CCCO1
InChIInChI=1S/C14H16F3N3O/c15-14(16,17)9-3-4-12-11(8-9)19-13(18)20(12)6-5-10-2-1-7-21-10/h3-4,8,10H,1-2,5-7H2,(H2,18,19)
InChIKeyLWWWQJODGGJZMF-UHFFFAOYSA-N
XLogP3.21
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(2R)-oxolan-2-yl]ethyl]-3,7-bis(trifluoromethyl)quinoxalin-2-one
CID 164631392
1-butyl-5-(trifluoromethyl)benzimidazol-2-amine
CID 115501979
N-methyl-1-[1-(oxolan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]methanamine
CID 46310132
2-ethyl-1-[2-(oxolan-2-yl)ethyl]benzimidazol-5-amine
CID 55080127
1-(2-cyclopentylethyl)-5-fluorobenzimidazol-2-amine
CID 54932894
5-[[2-amino-5-(trifluoromethyl)benzimidazol-1-yl]methyl]pyrrolidin-2-one
CID 115502117
3-[2-amino-5-(trifluoromethyl)benzimidazol-1-yl]-N-methylpropanamide
CID 115502066
1-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)benzimidazol-2-amine
CID 115502072
CID 89304662
CID 89304662
2-[2-(oxolan-2-yl)ethylsulfinyl]-5-(trifluoromethyl)aniline
CID 81176304
1-[(5-methylfuran-2-yl)methyl]-5-(trifluoromethyl)benzimidazol-2-amine
CID 115502083
1-[(4-phenylphenyl)methyl]-5-(trifluoromethyl)benzimidazol-2-amine
CID 19390948

Frequently Asked Questions

What is the IUPAC name of 1-[2-(oxolan-2-yl)ethyl]-5-(trifluoromethyl)benzimidazol-2-amine?
The IUPAC name of 1-[2-(oxolan-2-yl)ethyl]-5-(trifluoromethyl)benzimidazol-2-amine (CID 115502056) is 1-[2-(oxolan-2-yl)ethyl]-5-(trifluoromethyl)benzimidazol-2-amine.
What is the SMILES notation for 1-[2-(oxolan-2-yl)ethyl]-5-(trifluoromethyl)benzimidazol-2-amine?
The canonical SMILES for 1-[2-(oxolan-2-yl)ethyl]-5-(trifluoromethyl)benzimidazol-2-amine is Nc1nc2cc(C(F)(F)F)ccc2n1CCC1CCCO1.
What is the InChIKey of 1-[2-(oxolan-2-yl)ethyl]-5-(trifluoromethyl)benzimidazol-2-amine?
The InChIKey is LWWWQJODGGJZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O/c15-14(16,17)9-3-4-12-11(8-9)19-13(18)20(12)6-5-10-2-1-7-21-10/h3-4,8,10H,1-2,5-7H2,(H2,18,19).
What are the key properties of 1-[2-(oxolan-2-yl)ethyl]-5-(trifluoromethyl)benzimidazol-2-amine?
1-[2-(oxolan-2-yl)ethyl]-5-(trifluoromethyl)benzimidazol-2-amine has a molecular weight of 299.30 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(oxolan-2-yl)ethyl]-5-(trifluoromethyl)benzimidazol-2-amine is sourced from PubChem (CID 115502056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).