[3-(5-fluorobenzimidazol-1-yl)piperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone

C20H18FN5O2 — CID 110222972

IUPAC[3-(5-fluorobenzimidazol-1-yl)piperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
SMILESO=C(c1cc(-c2ccco2)[nH]n1)N1CCCC(n2cnc3cc(F)ccc32)C1
InChIInChI=1S/C20H18FN5O2/c21-13-5-6-18-15(9-13)22-12-26(18)14-3-1-7-25(11-14)20(27)17-10-16(23-24-17)19-4-2-8-28-19/h2,4-6,8-10,12,14H,1,3,7,11H2,(H,23,24)
InChIKeySBHOGMDJKHQVIA-UHFFFAOYSA-N
MW379.40 g/mol
LogP3.64
Rot. Bonds3

About [3-(5-fluorobenzimidazol-1-yl)piperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone

[3-(5-fluorobenzimidazol-1-yl)piperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone (PubChem CID 110222972) has the molecular formula C20H18FN5O2 and a molecular weight of 379.40 g/mol. Its IUPAC name is [3-(5-fluorobenzimidazol-1-yl)piperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone.

Molecular Properties

Compound Name[3-(5-fluorobenzimidazol-1-yl)piperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
PubChem CID110222972
Molecular FormulaC20H18FN5O2
Molecular Weight379.40 g/mol
Exact Mass379.14
IUPAC Name[3-(5-fluorobenzimidazol-1-yl)piperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
SMILESO=C(c1cc(-c2ccco2)[nH]n1)N1CCCC(n2cnc3cc(F)ccc32)C1
InChIInChI=1S/C20H18FN5O2/c21-13-5-6-18-15(9-13)22-12-26(18)14-3-1-7-25(11-14)20(27)17-10-16(23-24-17)19-4-2-8-28-19/h2,4-6,8-10,12,14H,1,3,7,11H2,(H,23,24)
InChIKeySBHOGMDJKHQVIA-UHFFFAOYSA-N
XLogP3.64
TPSA79.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.40
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-(5-fluorobenzimidazol-1-yl)piperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(5-fluorobenzimidazol-1-yl)piperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone?
The IUPAC name of [3-(5-fluorobenzimidazol-1-yl)piperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone (CID 110222972) is [3-(5-fluorobenzimidazol-1-yl)piperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone.
What is the SMILES notation for [3-(5-fluorobenzimidazol-1-yl)piperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone?
The canonical SMILES for [3-(5-fluorobenzimidazol-1-yl)piperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone is O=C(c1cc(-c2ccco2)[nH]n1)N1CCCC(n2cnc3cc(F)ccc32)C1.
What is the InChIKey of [3-(5-fluorobenzimidazol-1-yl)piperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone?
The InChIKey is SBHOGMDJKHQVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O2/c21-13-5-6-18-15(9-13)22-12-26(18)14-3-1-7-25(11-14)20(27)17-10-16(23-24-17)19-4-2-8-28-19/h2,4-6,8-10,12,14H,1,3,7,11H2,(H,23,24).
What are the key properties of [3-(5-fluorobenzimidazol-1-yl)piperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone?
[3-(5-fluorobenzimidazol-1-yl)piperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone has a molecular weight of 379.40 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-fluorobenzimidazol-1-yl)piperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone is sourced from PubChem (CID 110222972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).