(3-cyclobutylmorpholin-4-yl)-[2-(difluoromethyl)-3H-benzimidazol-5-yl]methanone

C17H19F2N3O2 — CID 138002370

IUPAC(3-cyclobutylmorpholin-4-yl)-[2-(difluoromethyl)-3H-benzimidazol-5-yl]methanone
SMILESO=C(c1ccc2nc(C(F)F)[nH]c2c1)N1CCOCC1C1CCC1
InChIInChI=1S/C17H19F2N3O2/c18-15(19)16-20-12-5-4-11(8-13(12)21-16)17(23)22-6-7-24-9-14(22)10-2-1-3-10/h4-5,8,10,14-15H,1-3,6-7,9H2,(H,20,21)
InChIKeyGIGICMLUIHUOJE-UHFFFAOYSA-N
MW335.35 g/mol
LogP3.14
Rot. Bonds3

About (3-cyclobutylmorpholin-4-yl)-[2-(difluoromethyl)-3H-benzimidazol-5-yl]methanone

(3-cyclobutylmorpholin-4-yl)-[2-(difluoromethyl)-3H-benzimidazol-5-yl]methanone (PubChem CID 138002370) has the molecular formula C17H19F2N3O2 and a molecular weight of 335.35 g/mol. Its IUPAC name is (3-cyclobutylmorpholin-4-yl)-[2-(difluoromethyl)-3H-benzimidazol-5-yl]methanone.

Molecular Properties

Compound Name(3-cyclobutylmorpholin-4-yl)-[2-(difluoromethyl)-3H-benzimidazol-5-yl]methanone
PubChem CID138002370
Molecular FormulaC17H19F2N3O2
Molecular Weight335.35 g/mol
Exact Mass335.14
IUPAC Name(3-cyclobutylmorpholin-4-yl)-[2-(difluoromethyl)-3H-benzimidazol-5-yl]methanone
SMILESO=C(c1ccc2nc(C(F)F)[nH]c2c1)N1CCOCC1C1CCC1
InChIInChI=1S/C17H19F2N3O2/c18-15(19)16-20-12-5-4-11(8-13(12)21-16)17(23)22-6-7-24-9-14(22)10-2-1-3-10/h4-5,8,10,14-15H,1-3,6-7,9H2,(H,20,21)
InChIKeyGIGICMLUIHUOJE-UHFFFAOYSA-N
XLogP3.14
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.35
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-cyclobutylmorpholin-4-yl)-[2-(difluoromethyl)-3H-benzimidazol-5-yl]methanone?
The IUPAC name of (3-cyclobutylmorpholin-4-yl)-[2-(difluoromethyl)-3H-benzimidazol-5-yl]methanone (CID 138002370) is (3-cyclobutylmorpholin-4-yl)-[2-(difluoromethyl)-3H-benzimidazol-5-yl]methanone.
What is the SMILES notation for (3-cyclobutylmorpholin-4-yl)-[2-(difluoromethyl)-3H-benzimidazol-5-yl]methanone?
The canonical SMILES for (3-cyclobutylmorpholin-4-yl)-[2-(difluoromethyl)-3H-benzimidazol-5-yl]methanone is O=C(c1ccc2nc(C(F)F)[nH]c2c1)N1CCOCC1C1CCC1.
What is the InChIKey of (3-cyclobutylmorpholin-4-yl)-[2-(difluoromethyl)-3H-benzimidazol-5-yl]methanone?
The InChIKey is GIGICMLUIHUOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O2/c18-15(19)16-20-12-5-4-11(8-13(12)21-16)17(23)22-6-7-24-9-14(22)10-2-1-3-10/h4-5,8,10,14-15H,1-3,6-7,9H2,(H,20,21).
What are the key properties of (3-cyclobutylmorpholin-4-yl)-[2-(difluoromethyl)-3H-benzimidazol-5-yl]methanone?
(3-cyclobutylmorpholin-4-yl)-[2-(difluoromethyl)-3H-benzimidazol-5-yl]methanone has a molecular weight of 335.35 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclobutylmorpholin-4-yl)-[2-(difluoromethyl)-3H-benzimidazol-5-yl]methanone is sourced from PubChem (CID 138002370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).