4-fluoro-N-(2-(4-(5-fluoro-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)benzamide

C21H22F2N4O2 — CID 44573689

IUPAC4-fluoro-N-[2-[4-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide
SMILESC1CN(CCC1N2C3=C(C=C(C=C3)F)NC2=O)CCNC(=O)C4=CC=C(C=C4)F
InChIInChI=1S/C21H22F2N4O2/c22-15-3-1-14(2-4-15)20(28)24-9-12-26-10-7-17(8-11-26)27-19-6-5-16(23)13-18(19)25-21(27)29/h1-6,13,17H,7-12H2,(H,24,28)(H,25,29)
InChIKeyQMXFZMPBYFJYLO-UHFFFAOYSA-N
MW400.40 g/mol
LogP3.10
Rot. Bonds5

About 4-fluoro-N-(2-(4-(5-fluoro-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)benzamide

4-fluoro-N-(2-(4-(5-fluoro-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)benzamide (PubChem CID 44573689) has the molecular formula C21H22F2N4O2 and a molecular weight of 400.40 g/mol. Its IUPAC name is 4-fluoro-N-[2-[4-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-(2-(4-(5-fluoro-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)benzamide
PubChem CID44573689
Molecular FormulaC21H22F2N4O2
Molecular Weight400.40 g/mol
Exact Mass400.17
IUPAC Name4-fluoro-N-[2-[4-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide
SMILESC1CN(CCC1N2C3=C(C=C(C=C3)F)NC2=O)CCNC(=O)C4=CC=C(C=C4)F
InChIInChI=1S/C21H22F2N4O2/c22-15-3-1-14(2-4-15)20(28)24-9-12-26-10-7-17(8-11-26)27-19-6-5-16(23)13-18(19)25-21(27)29/h1-6,13,17H,7-12H2,(H,24,28)(H,25,29)
InChIKeyQMXFZMPBYFJYLO-UHFFFAOYSA-N
XLogP3.10
TPSA64.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity591

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.40
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-fluoro-N-(2-(4-(5-fluoro-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)benzamide with MolForge

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Related Compounds

Droperidol
CID 3168
Benperidol
CID 16363
Spiperone
CID 5265
Timiperone
CID 3033151
Halopemide
CID 65490
CID 53481919
CID 53481919
Spiperone hydrochloride
CID 11957687
4-Chloro-N-(2-(4-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)benzamide
CID 21428850
3,4-Difluoro-N-(2-(4-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)benzamide
CID 25105698
3,4-Dichloro-N-(2-(4-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)benzamide
CID 25105699
3,5-Dichloro-N-(2-(4-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)benzamide
CID 25105700
4-Methyl-N-(2-(4-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)benzamide
CID 25105701

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-(4-(5-fluoro-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)benzamide?
The IUPAC name of 4-fluoro-N-(2-(4-(5-fluoro-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)benzamide (CID 44573689) is 4-fluoro-N-[2-[4-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-(2-(4-(5-fluoro-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)benzamide?
The canonical SMILES for 4-fluoro-N-(2-(4-(5-fluoro-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)benzamide is C1CN(CCC1N2C3=C(C=C(C=C3)F)NC2=O)CCNC(=O)C4=CC=C(C=C4)F.
What is the InChIKey of 4-fluoro-N-(2-(4-(5-fluoro-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)benzamide?
The InChIKey is QMXFZMPBYFJYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N4O2/c22-15-3-1-14(2-4-15)20(28)24-9-12-26-10-7-17(8-11-26)27-19-6-5-16(23)13-18(19)25-21(27)29/h1-6,13,17H,7-12H2,(H,24,28)(H,25,29).
What are the key properties of 4-fluoro-N-(2-(4-(5-fluoro-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)benzamide?
4-fluoro-N-(2-(4-(5-fluoro-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)benzamide has a molecular weight of 400.40 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-(4-(5-fluoro-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)benzamide is sourced from PubChem (CID 44573689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).