(4,4-difluoropiperidin-1-yl)-(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone

C14H19F2N3O — CID 90640606

IUPAC(4,4-difluoropiperidin-1-yl)-(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone
SMILESCc1nc2c([nH]1)CC(C(=O)N1CCC(F)(F)CC1)CC2
InChIInChI=1S/C14H19F2N3O/c1-9-17-11-3-2-10(8-12(11)18-9)13(20)19-6-4-14(15,16)5-7-19/h10H,2-8H2,1H3,(H,17,18)
InChIKeyNNYHNLXPJZJPKW-UHFFFAOYSA-N
MW283.32 g/mol
LogP2.08
Rot. Bonds1

About (4,4-difluoropiperidin-1-yl)-(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone

(4,4-difluoropiperidin-1-yl)-(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone (PubChem CID 90640606) has the molecular formula C14H19F2N3O and a molecular weight of 283.32 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone
PubChem CID90640606
Molecular FormulaC14H19F2N3O
Molecular Weight283.32 g/mol
Exact Mass283.15
IUPAC Name(4,4-difluoropiperidin-1-yl)-(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone
SMILESCc1nc2c([nH]1)CC(C(=O)N1CCC(F)(F)CC1)CC2
InChIInChI=1S/C14H19F2N3O/c1-9-17-11-3-2-10(8-12(11)18-9)13(20)19-6-4-14(15,16)5-7-19/h10H,2-8H2,1H3,(H,17,18)
InChIKeyNNYHNLXPJZJPKW-UHFFFAOYSA-N
XLogP2.08
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 52.08
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)-(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone (CID 90640606) is (4,4-difluoropiperidin-1-yl)-(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone is Cc1nc2c([nH]1)CC(C(=O)N1CCC(F)(F)CC1)CC2.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone?
The InChIKey is NNYHNLXPJZJPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N3O/c1-9-17-11-3-2-10(8-12(11)18-9)13(20)19-6-4-14(15,16)5-7-19/h10H,2-8H2,1H3,(H,17,18).
What are the key properties of (4,4-difluoropiperidin-1-yl)-(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone?
(4,4-difluoropiperidin-1-yl)-(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone has a molecular weight of 283.32 g/mol, XLogP of 2.08, 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)-(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone is sourced from PubChem (CID 90640606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).