morpholin-4-yl-[1-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]methanone

C16H18F3N3O2 — CID 2823608

IUPACmorpholin-4-yl-[1-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]methanone
SMILESCC(C)n1c(C(F)(F)F)nc2cc(C(=O)N3CCOCC3)ccc21
InChIInChI=1S/C16H18F3N3O2/c1-10(2)22-13-4-3-11(14(23)21-5-7-24-8-6-21)9-12(13)20-15(22)16(17,18)19/h3-4,9-10H,5-8H2,1-2H3
InChIKeyGKTJRCZCCWXEGS-UHFFFAOYSA-N
MW341.33 g/mol
LogP3.11
Rot. Bonds2

About morpholin-4-yl-[1-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]methanone

morpholin-4-yl-[1-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]methanone (PubChem CID 2823608) has the molecular formula C16H18F3N3O2 and a molecular weight of 341.33 g/mol. Its IUPAC name is morpholin-4-yl-[1-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[1-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]methanone
PubChem CID2823608
Molecular FormulaC16H18F3N3O2
Molecular Weight341.33 g/mol
Exact Mass341.14
IUPAC Namemorpholin-4-yl-[1-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]methanone
SMILESCC(C)n1c(C(F)(F)F)nc2cc(C(=O)N3CCOCC3)ccc21
InChIInChI=1S/C16H18F3N3O2/c1-10(2)22-13-4-3-11(14(23)21-5-7-24-8-6-21)9-12(13)20-15(22)16(17,18)19/h3-4,9-10H,5-8H2,1-2H3
InChIKeyGKTJRCZCCWXEGS-UHFFFAOYSA-N
XLogP3.11
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.33
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[1-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]methanone?
The IUPAC name of morpholin-4-yl-[1-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]methanone (CID 2823608) is morpholin-4-yl-[1-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[1-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]methanone?
The canonical SMILES for morpholin-4-yl-[1-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]methanone is CC(C)n1c(C(F)(F)F)nc2cc(C(=O)N3CCOCC3)ccc21.
What is the InChIKey of morpholin-4-yl-[1-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]methanone?
The InChIKey is GKTJRCZCCWXEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O2/c1-10(2)22-13-4-3-11(14(23)21-5-7-24-8-6-21)9-12(13)20-15(22)16(17,18)19/h3-4,9-10H,5-8H2,1-2H3.
What are the key properties of morpholin-4-yl-[1-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]methanone?
morpholin-4-yl-[1-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]methanone has a molecular weight of 341.33 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[1-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]methanone is sourced from PubChem (CID 2823608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).