N-[[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-3-methylbenzamide

C24H21FN4O2 — CID 17029460

IUPACN-[[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCc2nc3ccccc3n2CC(=O)Nc2cccc(F)c2)c1
InChIInChI=1S/C24H21FN4O2/c1-16-6-4-7-17(12-16)24(31)26-14-22-28-20-10-2-3-11-21(20)29(22)15-23(30)27-19-9-5-8-18(25)13-19/h2-13H,14-15H2,1H3,(H,26,31)(H,27,30)
InChIKeyQTKIWKXTVHNJBE-UHFFFAOYSA-N
MW416.46 g/mol
LogP4.05
Rot. Bonds6

About N-[[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-3-methylbenzamide

N-[[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-3-methylbenzamide (PubChem CID 17029460) has the molecular formula C24H21FN4O2 and a molecular weight of 416.46 g/mol. Its IUPAC name is N-[[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-3-methylbenzamide
PubChem CID17029460
Molecular FormulaC24H21FN4O2
Molecular Weight416.46 g/mol
Exact Mass416.16
IUPAC NameN-[[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCc2nc3ccccc3n2CC(=O)Nc2cccc(F)c2)c1
InChIInChI=1S/C24H21FN4O2/c1-16-6-4-7-17(12-16)24(31)26-14-22-28-20-10-2-3-11-21(20)29(22)15-23(30)27-19-9-5-8-18(25)13-19/h2-13H,14-15H2,1H3,(H,26,31)(H,27,30)
InChIKeyQTKIWKXTVHNJBE-UHFFFAOYSA-N
XLogP4.05
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17029315
N-[[1-[2-(4-methoxyanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-3-methylbenzamide
CID 17029468
N-[[1-[2-(2,6-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-3-methylbenzamide
CID 17029473
3-methyl-N-[[1-[2-oxo-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]methyl]benzamide
CID 17029442
N-[[1-[2-(4-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-methylbenzamide
CID 17029514
N-[[1-[2-(cyclopentylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-3-methylbenzamide
CID 17029444
N-[[1-[2-(4-chlorophenyl)-2-oxoethyl]benzimidazol-2-yl]methyl]-3-methylbenzamide
CID 17007398
N-[2-[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]propanamide
CID 17030281
4-chloro-N-[[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17029556
3-methyl-N-[[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 17007275
3-methyl-N-[[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17007392
N-[[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-methylbenzamide
CID 17029360

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-3-methylbenzamide?
The IUPAC name of N-[[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-3-methylbenzamide (CID 17029460) is N-[[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-3-methylbenzamide.
What is the SMILES notation for N-[[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-3-methylbenzamide?
The canonical SMILES for N-[[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-3-methylbenzamide is Cc1cccc(C(=O)NCc2nc3ccccc3n2CC(=O)Nc2cccc(F)c2)c1.
What is the InChIKey of N-[[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-3-methylbenzamide?
The InChIKey is QTKIWKXTVHNJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O2/c1-16-6-4-7-17(12-16)24(31)26-14-22-28-20-10-2-3-11-21(20)29(22)15-23(30)27-19-9-5-8-18(25)13-19/h2-13H,14-15H2,1H3,(H,26,31)(H,27,30).
What are the key properties of N-[[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-3-methylbenzamide?
N-[[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-3-methylbenzamide has a molecular weight of 416.46 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-3-methylbenzamide is sourced from PubChem (CID 17029460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).