N-[1-[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide

C22H23FN4O3 — CID 17030134

IUPACN-[1-[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide
SMILESCC(NC(=O)C1CCCO1)c1nc2ccccc2n1CC(=O)Nc1cccc(F)c1
InChIInChI=1S/C22H23FN4O3/c1-14(24-22(29)19-10-5-11-30-19)21-26-17-8-2-3-9-18(17)27(21)13-20(28)25-16-7-4-6-15(23)12-16/h2-4,6-9,12,14,19H,5,10-11,13H2,1H3,(H,24,29)(H,25,28)
InChIKeyLBGAWWHWURXRCQ-UHFFFAOYSA-N
MW410.45 g/mol
LogP3.17
Rot. Bonds6

About N-[1-[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide

N-[1-[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide (PubChem CID 17030134) has the molecular formula C22H23FN4O3 and a molecular weight of 410.45 g/mol. Its IUPAC name is N-[1-[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[1-[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide
PubChem CID17030134
Molecular FormulaC22H23FN4O3
Molecular Weight410.45 g/mol
Exact Mass410.18
IUPAC NameN-[1-[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide
SMILESCC(NC(=O)C1CCCO1)c1nc2ccccc2n1CC(=O)Nc1cccc(F)c1
InChIInChI=1S/C22H23FN4O3/c1-14(24-22(29)19-10-5-11-30-19)21-26-17-8-2-3-9-18(17)27(21)13-20(28)25-16-7-4-6-15(23)12-16/h2-4,6-9,12,14,19H,5,10-11,13H2,1H3,(H,24,29)(H,25,28)
InChIKeyLBGAWWHWURXRCQ-UHFFFAOYSA-N
XLogP3.17
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[1-[2-(3,4-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide
CID 17030150
N-[1-[1-[2-oxo-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide
CID 17030116
methyl 2-[2-[1-(oxolane-2-carbonylamino)ethyl]benzimidazol-1-yl]acetate
CID 16973462
N-[1-[1-[2-(3-methoxypropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide
CID 17030123
N-[1-(1-dodecylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide
CID 16973329
N-[1-[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]butyl]benzamide
CID 42892093
N-[1-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide
CID 16973343
N-[1-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide
CID 16973385
N-[2-[1-[2-(3-methylsulfanylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide
CID 17030577
N-[(1R)-1-[1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 41184023
N-[1-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide
CID 16973384
N-[1-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]ethyl]benzamide
CID 3949916

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide?
The IUPAC name of N-[1-[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide (CID 17030134) is N-[1-[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[1-[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide?
The canonical SMILES for N-[1-[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide is CC(NC(=O)C1CCCO1)c1nc2ccccc2n1CC(=O)Nc1cccc(F)c1.
What is the InChIKey of N-[1-[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide?
The InChIKey is LBGAWWHWURXRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O3/c1-14(24-22(29)19-10-5-11-30-19)21-26-17-8-2-3-9-18(17)27(21)13-20(28)25-16-7-4-6-15(23)12-16/h2-4,6-9,12,14,19H,5,10-11,13H2,1H3,(H,24,29)(H,25,28).
What are the key properties of N-[1-[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide?
N-[1-[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide has a molecular weight of 410.45 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 17030134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).