[2-(difluoromethyl)-1H-benzimidazol-4-yl]-[(2S)-2-(furan-2-yl)piperidin-1-yl]methanone

C18H17F2N3O2 — CID 164633009

IUPAC[2-(difluoromethyl)-1H-benzimidazol-4-yl]-[(2S)-2-(furan-2-yl)piperidin-1-yl]methanone
SMILESO=C(c1cccc2[nH]c(C(F)F)nc12)N1CCCC[C@H]1c1ccco1
InChIInChI=1S/C18H17F2N3O2/c19-16(20)17-21-12-6-3-5-11(15(12)22-17)18(24)23-9-2-1-7-13(23)14-8-4-10-25-14/h3-6,8,10,13,16H,1-2,7,9H2,(H,21,22)/t13-/m0/s1
InChIKeyYAEGAXAEOIITGP-ZDUSSCGKSA-N
MW345.35 g/mol
LogP4.46
Rot. Bonds3

About [2-(difluoromethyl)-1H-benzimidazol-4-yl]-[(2S)-2-(furan-2-yl)piperidin-1-yl]methanone

[2-(difluoromethyl)-1H-benzimidazol-4-yl]-[(2S)-2-(furan-2-yl)piperidin-1-yl]methanone (PubChem CID 164633009) has the molecular formula C18H17F2N3O2 and a molecular weight of 345.35 g/mol. Its IUPAC name is [2-(difluoromethyl)-1H-benzimidazol-4-yl]-[(2S)-2-(furan-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(difluoromethyl)-1H-benzimidazol-4-yl]-[(2S)-2-(furan-2-yl)piperidin-1-yl]methanone
PubChem CID164633009
Molecular FormulaC18H17F2N3O2
Molecular Weight345.35 g/mol
Exact Mass345.13
IUPAC Name[2-(difluoromethyl)-1H-benzimidazol-4-yl]-[(2S)-2-(furan-2-yl)piperidin-1-yl]methanone
SMILESO=C(c1cccc2[nH]c(C(F)F)nc12)N1CCCC[C@H]1c1ccco1
InChIInChI=1S/C18H17F2N3O2/c19-16(20)17-21-12-6-3-5-11(15(12)22-17)18(24)23-9-2-1-7-13(23)14-8-4-10-25-14/h3-6,8,10,13,16H,1-2,7,9H2,(H,21,22)/t13-/m0/s1
InChIKeyYAEGAXAEOIITGP-ZDUSSCGKSA-N
XLogP4.46
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethyl)-1H-benzimidazol-4-yl]-[(2S)-2-(furan-2-yl)piperidin-1-yl]methanone?
The IUPAC name of [2-(difluoromethyl)-1H-benzimidazol-4-yl]-[(2S)-2-(furan-2-yl)piperidin-1-yl]methanone (CID 164633009) is [2-(difluoromethyl)-1H-benzimidazol-4-yl]-[(2S)-2-(furan-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [2-(difluoromethyl)-1H-benzimidazol-4-yl]-[(2S)-2-(furan-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for [2-(difluoromethyl)-1H-benzimidazol-4-yl]-[(2S)-2-(furan-2-yl)piperidin-1-yl]methanone is O=C(c1cccc2[nH]c(C(F)F)nc12)N1CCCC[C@H]1c1ccco1.
What is the InChIKey of [2-(difluoromethyl)-1H-benzimidazol-4-yl]-[(2S)-2-(furan-2-yl)piperidin-1-yl]methanone?
The InChIKey is YAEGAXAEOIITGP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H17F2N3O2/c19-16(20)17-21-12-6-3-5-11(15(12)22-17)18(24)23-9-2-1-7-13(23)14-8-4-10-25-14/h3-6,8,10,13,16H,1-2,7,9H2,(H,21,22)/t13-/m0/s1.
What are the key properties of [2-(difluoromethyl)-1H-benzimidazol-4-yl]-[(2S)-2-(furan-2-yl)piperidin-1-yl]methanone?
[2-(difluoromethyl)-1H-benzimidazol-4-yl]-[(2S)-2-(furan-2-yl)piperidin-1-yl]methanone has a molecular weight of 345.35 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethyl)-1H-benzimidazol-4-yl]-[(2S)-2-(furan-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 164633009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).