(2,4-difluorophenyl)-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]methanone

C20H18F3N3O — CID 1469473

IUPAC(2,4-difluorophenyl)-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]methanone
SMILESCc1nc2cc(F)ccc2n1C1CCN(C(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C20H18F3N3O/c1-12-24-18-11-14(22)3-5-19(18)26(12)15-6-8-25(9-7-15)20(27)16-4-2-13(21)10-17(16)23/h2-5,10-11,15H,6-9H2,1H3
InChIKeyGOIBRRCSPJDWFA-UHFFFAOYSA-N
MW373.38 g/mol
LogP4.24
Rot. Bonds2

About (2,4-difluorophenyl)-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]methanone

(2,4-difluorophenyl)-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]methanone (PubChem CID 1469473) has the molecular formula C20H18F3N3O and a molecular weight of 373.38 g/mol. Its IUPAC name is (2,4-difluorophenyl)-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-difluorophenyl)-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]methanone
PubChem CID1469473
Molecular FormulaC20H18F3N3O
Molecular Weight373.38 g/mol
Exact Mass373.14
IUPAC Name(2,4-difluorophenyl)-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]methanone
SMILESCc1nc2cc(F)ccc2n1C1CCN(C(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C20H18F3N3O/c1-12-24-18-11-14(22)3-5-19(18)26(12)15-6-8-25(9-7-15)20(27)16-4-2-13(21)10-17(16)23/h2-5,10-11,15H,6-9H2,1H3
InChIKeyGOIBRRCSPJDWFA-UHFFFAOYSA-N
XLogP4.24
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl)-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]methanone?
The IUPAC name of (2,4-difluorophenyl)-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]methanone (CID 1469473) is (2,4-difluorophenyl)-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2,4-difluorophenyl)-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2,4-difluorophenyl)-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]methanone is Cc1nc2cc(F)ccc2n1C1CCN(C(=O)c2ccc(F)cc2F)CC1.
What is the InChIKey of (2,4-difluorophenyl)-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]methanone?
The InChIKey is GOIBRRCSPJDWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O/c1-12-24-18-11-14(22)3-5-19(18)26(12)15-6-8-25(9-7-15)20(27)16-4-2-13(21)10-17(16)23/h2-5,10-11,15H,6-9H2,1H3.
What are the key properties of (2,4-difluorophenyl)-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]methanone?
(2,4-difluorophenyl)-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]methanone has a molecular weight of 373.38 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorophenyl)-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 1469473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).