N-[2-[[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]cyclopentanecarboxamide

C23H25FN4O2 — CID 86933208

IUPACN-[2-[[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]cyclopentanecarboxamide
SMILESO=C(CNC(=O)C1CCCC1)NC(Cn1cnc2ccccc21)c1ccc(F)cc1
InChIInChI=1S/C23H25FN4O2/c24-18-11-9-16(10-12-18)20(14-28-15-26-19-7-3-4-8-21(19)28)27-22(29)13-25-23(30)17-5-1-2-6-17/h3-4,7-12,15,17,20H,1-2,5-6,13-14H2,(H,25,30)(H,27,29)
InChIKeyQUJFLABMTVJKRK-UHFFFAOYSA-N
MW408.48 g/mol
LogP3.34
Rot. Bonds7

About N-[2-[[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]cyclopentanecarboxamide

N-[2-[[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]cyclopentanecarboxamide (PubChem CID 86933208) has the molecular formula C23H25FN4O2 and a molecular weight of 408.48 g/mol. Its IUPAC name is N-[2-[[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-[[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]cyclopentanecarboxamide
PubChem CID86933208
Molecular FormulaC23H25FN4O2
Molecular Weight408.48 g/mol
Exact Mass408.20
IUPAC NameN-[2-[[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]cyclopentanecarboxamide
SMILESO=C(CNC(=O)C1CCCC1)NC(Cn1cnc2ccccc21)c1ccc(F)cc1
InChIInChI=1S/C23H25FN4O2/c24-18-11-9-16(10-12-18)20(14-28-15-26-19-7-3-4-8-21(19)28)27-22(29)13-25-23(30)17-5-1-2-6-17/h3-4,7-12,15,17,20H,1-2,5-6,13-14H2,(H,25,30)(H,27,29)
InChIKeyQUJFLABMTVJKRK-UHFFFAOYSA-N
XLogP3.34
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[(1S)-2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]acetamide
CID 124701161
N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-methoxyacetamide
CID 71941395
N-[(1S)-2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]azetidine-1-carboxamide
CID 94103478
(2S,5R)-5-(aminomethyl)-N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]oxolane-2-carboxamide
CID 120798252
N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 55795660
N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 119851641
1-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-3-[2-(2,2,2-trifluoroethoxy)ethyl]urea
CID 78889623
N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-(3-methoxy-4-methylphenyl)acetamide
CID 55795820
N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-3-(4-oxocinnolin-1-yl)propanamide
CID 55795556
N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 55795679
N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55795787
N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 55795647

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]cyclopentanecarboxamide?
The IUPAC name of N-[2-[[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]cyclopentanecarboxamide (CID 86933208) is N-[2-[[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-[[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]cyclopentanecarboxamide?
The canonical SMILES for N-[2-[[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]cyclopentanecarboxamide is O=C(CNC(=O)C1CCCC1)NC(Cn1cnc2ccccc21)c1ccc(F)cc1.
What is the InChIKey of N-[2-[[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]cyclopentanecarboxamide?
The InChIKey is QUJFLABMTVJKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O2/c24-18-11-9-16(10-12-18)20(14-28-15-26-19-7-3-4-8-21(19)28)27-22(29)13-25-23(30)17-5-1-2-6-17/h3-4,7-12,15,17,20H,1-2,5-6,13-14H2,(H,25,30)(H,27,29).
What are the key properties of N-[2-[[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]cyclopentanecarboxamide?
N-[2-[[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]cyclopentanecarboxamide has a molecular weight of 408.48 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]cyclopentanecarboxamide is sourced from PubChem (CID 86933208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).