1-(dimethylamino)-3-[1-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethylamino]propan-2-ol

C16H23F3N4O — CID 110010475

IUPAC1-(dimethylamino)-3-[1-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethylamino]propan-2-ol
SMILESCC(NCC(O)CN(C)C)c1nc2cc(C(F)(F)F)ccc2n1C
InChIInChI=1S/C16H23F3N4O/c1-10(20-8-12(24)9-22(2)3)15-21-13-7-11(16(17,18)19)5-6-14(13)23(15)4/h5-7,10,12,20,24H,8-9H2,1-4H3
InChIKeyCOJYYVDWDCODQK-UHFFFAOYSA-N
MW344.38 g/mol
LogP2.17
Rot. Bonds6

About 1-(dimethylamino)-3-[1-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethylamino]propan-2-ol

1-(dimethylamino)-3-[1-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethylamino]propan-2-ol (PubChem CID 110010475) has the molecular formula C16H23F3N4O and a molecular weight of 344.38 g/mol. Its IUPAC name is 1-(dimethylamino)-3-[1-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-3-[1-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethylamino]propan-2-ol
PubChem CID110010475
Molecular FormulaC16H23F3N4O
Molecular Weight344.38 g/mol
Exact Mass344.18
IUPAC Name1-(dimethylamino)-3-[1-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethylamino]propan-2-ol
SMILESCC(NCC(O)CN(C)C)c1nc2cc(C(F)(F)F)ccc2n1C
InChIInChI=1S/C16H23F3N4O/c1-10(20-8-12(24)9-22(2)3)15-21-13-7-11(16(17,18)19)5-6-14(13)23(15)4/h5-7,10,12,20,24H,8-9H2,1-4H3
InChIKeyCOJYYVDWDCODQK-UHFFFAOYSA-N
XLogP2.17
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-[1-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethylamino]propan-2-ol?
The IUPAC name of 1-(dimethylamino)-3-[1-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethylamino]propan-2-ol (CID 110010475) is 1-(dimethylamino)-3-[1-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethylamino]propan-2-ol.
What is the SMILES notation for 1-(dimethylamino)-3-[1-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethylamino]propan-2-ol?
The canonical SMILES for 1-(dimethylamino)-3-[1-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethylamino]propan-2-ol is CC(NCC(O)CN(C)C)c1nc2cc(C(F)(F)F)ccc2n1C.
What is the InChIKey of 1-(dimethylamino)-3-[1-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethylamino]propan-2-ol?
The InChIKey is COJYYVDWDCODQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N4O/c1-10(20-8-12(24)9-22(2)3)15-21-13-7-11(16(17,18)19)5-6-14(13)23(15)4/h5-7,10,12,20,24H,8-9H2,1-4H3.
What are the key properties of 1-(dimethylamino)-3-[1-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethylamino]propan-2-ol?
1-(dimethylamino)-3-[1-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethylamino]propan-2-ol has a molecular weight of 344.38 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-[1-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethylamino]propan-2-ol is sourced from PubChem (CID 110010475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).