5-[[(2R)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]propyl]amino]-1,3-dimethylbenzimidazol-2-one

C19H20F3N3O2 — CID 99774064

IUPAC5-[[(2R)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]propyl]amino]-1,3-dimethylbenzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc(NC[C@](C)(O)c3cccc(C(F)(F)F)c3)ccc21
InChIInChI=1S/C19H20F3N3O2/c1-18(27,12-5-4-6-13(9-12)19(20,21)22)11-23-14-7-8-15-16(10-14)25(3)17(26)24(15)2/h4-10,23,27H,11H2,1-3H3/t18-/m0/s1
InChIKeyBNMYYZGRRSNRDN-SFHVURJKSA-N
MW379.38 g/mol
LogP3.22
Rot. Bonds4

About 5-[[(2R)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]propyl]amino]-1,3-dimethylbenzimidazol-2-one

5-[[(2R)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]propyl]amino]-1,3-dimethylbenzimidazol-2-one (PubChem CID 99774064) has the molecular formula C19H20F3N3O2 and a molecular weight of 379.38 g/mol. Its IUPAC name is 5-[[(2R)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]propyl]amino]-1,3-dimethylbenzimidazol-2-one.

Molecular Properties

Compound Name5-[[(2R)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]propyl]amino]-1,3-dimethylbenzimidazol-2-one
PubChem CID99774064
Molecular FormulaC19H20F3N3O2
Molecular Weight379.38 g/mol
Exact Mass379.15
IUPAC Name5-[[(2R)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]propyl]amino]-1,3-dimethylbenzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc(NC[C@](C)(O)c3cccc(C(F)(F)F)c3)ccc21
InChIInChI=1S/C19H20F3N3O2/c1-18(27,12-5-4-6-13(9-12)19(20,21)22)11-23-14-7-8-15-16(10-14)25(3)17(26)24(15)2/h4-10,23,27H,11H2,1-3H3/t18-/m0/s1
InChIKeyBNMYYZGRRSNRDN-SFHVURJKSA-N
XLogP3.22
TPSA59.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]propyl]amino]benzamide
CID 111121610
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 50875724
6,6,6-trifluoro-2-[3-(trifluoromethyl)phenyl]hexan-2-ol
CID 116535882
1,3-dimethyl-5-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]sulfonylbenzimidazol-2-one
CID 50784546
1-(4-tert-butylanilino)-2-phenylpropan-2-ol
CID 62373659
2-(3-chlorophenyl)-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol
CID 133473010
N-(2-hydroxy-2-phenylpropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 121112072
1-(pyridin-2-ylmethylamino)-2-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 111121601
N-[(2R)-2-hydroxy-2-phenylpropyl]-3-(trifluoromethyl)benzamide
CID 95368012
1-(2-hydroxy-2-phenylpropyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 121112096
1,3-dimethyl-7-[2-[3-(trifluoromethyl)anilino]ethyl]purine-2,6-dione
CID 24562265
3-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]propyl]-methylamino]-N,2-dimethylpropanamide
CID 111635202

Frequently Asked Questions

What is the IUPAC name of 5-[[(2R)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]propyl]amino]-1,3-dimethylbenzimidazol-2-one?
The IUPAC name of 5-[[(2R)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]propyl]amino]-1,3-dimethylbenzimidazol-2-one (CID 99774064) is 5-[[(2R)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]propyl]amino]-1,3-dimethylbenzimidazol-2-one.
What is the SMILES notation for 5-[[(2R)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]propyl]amino]-1,3-dimethylbenzimidazol-2-one?
The canonical SMILES for 5-[[(2R)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]propyl]amino]-1,3-dimethylbenzimidazol-2-one is Cn1c(=O)n(C)c2cc(NC[C@](C)(O)c3cccc(C(F)(F)F)c3)ccc21.
What is the InChIKey of 5-[[(2R)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]propyl]amino]-1,3-dimethylbenzimidazol-2-one?
The InChIKey is BNMYYZGRRSNRDN-SFHVURJKSA-N. The full InChI is InChI=1S/C19H20F3N3O2/c1-18(27,12-5-4-6-13(9-12)19(20,21)22)11-23-14-7-8-15-16(10-14)25(3)17(26)24(15)2/h4-10,23,27H,11H2,1-3H3/t18-/m0/s1.
What are the key properties of 5-[[(2R)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]propyl]amino]-1,3-dimethylbenzimidazol-2-one?
5-[[(2R)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]propyl]amino]-1,3-dimethylbenzimidazol-2-one has a molecular weight of 379.38 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2R)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]propyl]amino]-1,3-dimethylbenzimidazol-2-one is sourced from PubChem (CID 99774064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).