5-[1-(ethylamino)-3,3,3-trifluoropropyl]-1,3-dimethylbenzimidazol-2-one

C14H18F3N3O — CID 62298672

IUPAC5-[1-(ethylamino)-3,3,3-trifluoropropyl]-1,3-dimethylbenzimidazol-2-one
SMILESCCNC(CC(F)(F)F)c1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C14H18F3N3O/c1-4-18-10(8-14(15,16)17)9-5-6-11-12(7-9)20(3)13(21)19(11)2/h5-7,10,18H,4,8H2,1-3H3
InChIKeyUXEWKENYDWVXIJ-UHFFFAOYSA-N
MW301.31 g/mol
LogP2.48
Rot. Bonds4

About 5-[1-(ethylamino)-3,3,3-trifluoropropyl]-1,3-dimethylbenzimidazol-2-one

5-[1-(ethylamino)-3,3,3-trifluoropropyl]-1,3-dimethylbenzimidazol-2-one (PubChem CID 62298672) has the molecular formula C14H18F3N3O and a molecular weight of 301.31 g/mol. Its IUPAC name is 5-[1-(ethylamino)-3,3,3-trifluoropropyl]-1,3-dimethylbenzimidazol-2-one.

Molecular Properties

Compound Name5-[1-(ethylamino)-3,3,3-trifluoropropyl]-1,3-dimethylbenzimidazol-2-one
PubChem CID62298672
Molecular FormulaC14H18F3N3O
Molecular Weight301.31 g/mol
Exact Mass301.14
IUPAC Name5-[1-(ethylamino)-3,3,3-trifluoropropyl]-1,3-dimethylbenzimidazol-2-one
SMILESCCNC(CC(F)(F)F)c1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C14H18F3N3O/c1-4-18-10(8-14(15,16)17)9-5-6-11-12(7-9)20(3)13(21)19(11)2/h5-7,10,18H,4,8H2,1-3H3
InChIKeyUXEWKENYDWVXIJ-UHFFFAOYSA-N
XLogP2.48
TPSA38.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(ethylamino)-3,3,3-trifluoropropyl]-1,3-dimethylbenzimidazol-2-one?
The IUPAC name of 5-[1-(ethylamino)-3,3,3-trifluoropropyl]-1,3-dimethylbenzimidazol-2-one (CID 62298672) is 5-[1-(ethylamino)-3,3,3-trifluoropropyl]-1,3-dimethylbenzimidazol-2-one.
What is the SMILES notation for 5-[1-(ethylamino)-3,3,3-trifluoropropyl]-1,3-dimethylbenzimidazol-2-one?
The canonical SMILES for 5-[1-(ethylamino)-3,3,3-trifluoropropyl]-1,3-dimethylbenzimidazol-2-one is CCNC(CC(F)(F)F)c1ccc2c(c1)n(C)c(=O)n2C.
What is the InChIKey of 5-[1-(ethylamino)-3,3,3-trifluoropropyl]-1,3-dimethylbenzimidazol-2-one?
The InChIKey is UXEWKENYDWVXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O/c1-4-18-10(8-14(15,16)17)9-5-6-11-12(7-9)20(3)13(21)19(11)2/h5-7,10,18H,4,8H2,1-3H3.
What are the key properties of 5-[1-(ethylamino)-3,3,3-trifluoropropyl]-1,3-dimethylbenzimidazol-2-one?
5-[1-(ethylamino)-3,3,3-trifluoropropyl]-1,3-dimethylbenzimidazol-2-one has a molecular weight of 301.31 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(ethylamino)-3,3,3-trifluoropropyl]-1,3-dimethylbenzimidazol-2-one is sourced from PubChem (CID 62298672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).