(4,4-difluoropiperidin-1-yl)-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone

C13H17F2N3O — CID 90640207

IUPAC(4,4-difluoropiperidin-1-yl)-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone
SMILESO=C(C1CCc2nc[nH]c2C1)N1CCC(F)(F)CC1
InChIInChI=1S/C13H17F2N3O/c14-13(15)3-5-18(6-4-13)12(19)9-1-2-10-11(7-9)17-8-16-10/h8-9H,1-7H2,(H,16,17)
InChIKeyCDRHKKRKLGLYQE-UHFFFAOYSA-N
MW269.29 g/mol
LogP1.77
Rot. Bonds1

About (4,4-difluoropiperidin-1-yl)-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone

(4,4-difluoropiperidin-1-yl)-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone (PubChem CID 90640207) has the molecular formula C13H17F2N3O and a molecular weight of 269.29 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone
PubChem CID90640207
Molecular FormulaC13H17F2N3O
Molecular Weight269.29 g/mol
Exact Mass269.13
IUPAC Name(4,4-difluoropiperidin-1-yl)-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone
SMILESO=C(C1CCc2nc[nH]c2C1)N1CCC(F)(F)CC1
InChIInChI=1S/C13H17F2N3O/c14-13(15)3-5-18(6-4-13)12(19)9-1-2-10-11(7-9)17-8-16-10/h8-9H,1-7H2,(H,16,17)
InChIKeyCDRHKKRKLGLYQE-UHFFFAOYSA-N
XLogP1.77
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-1-yl)-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone (CID 90640207) is (4,4-difluoropiperidin-1-yl)-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone is O=C(C1CCc2nc[nH]c2C1)N1CCC(F)(F)CC1.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone?
The InChIKey is CDRHKKRKLGLYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N3O/c14-13(15)3-5-18(6-4-13)12(19)9-1-2-10-11(7-9)17-8-16-10/h8-9H,1-7H2,(H,16,17).
What are the key properties of (4,4-difluoropiperidin-1-yl)-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone?
(4,4-difluoropiperidin-1-yl)-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone has a molecular weight of 269.29 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropiperidin-1-yl)-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone is sourced from PubChem (CID 90640207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).