N-[1-[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]butyl]benzamide

C26H25FN4O2 — CID 42892093

IUPACN-[1-[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]butyl]benzamide
SMILESCCCC(NC(=O)c1ccccc1)c1nc2ccccc2n1CC(=O)Nc1cccc(F)c1
InChIInChI=1S/C26H25FN4O2/c1-2-9-22(30-26(33)18-10-4-3-5-11-18)25-29-21-14-6-7-15-23(21)31(25)17-24(32)28-20-13-8-12-19(27)16-20/h3-8,10-16,22H,2,9,17H2,1H3,(H,28,32)(H,30,33)
InChIKeyCZDQTEWGCFEQIZ-UHFFFAOYSA-N
MW444.51 g/mol
LogP5.09
Rot. Bonds8

About N-[1-[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]butyl]benzamide

N-[1-[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]butyl]benzamide (PubChem CID 42892093) has the molecular formula C26H25FN4O2 and a molecular weight of 444.51 g/mol. Its IUPAC name is N-[1-[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]butyl]benzamide.

Molecular Properties

Compound NameN-[1-[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]butyl]benzamide
PubChem CID42892093
Molecular FormulaC26H25FN4O2
Molecular Weight444.51 g/mol
Exact Mass444.20
IUPAC NameN-[1-[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]butyl]benzamide
SMILESCCCC(NC(=O)c1ccccc1)c1nc2ccccc2n1CC(=O)Nc1cccc(F)c1
InChIInChI=1S/C26H25FN4O2/c1-2-9-22(30-26(33)18-10-4-3-5-11-18)25-29-21-14-6-7-15-23(21)31(25)17-24(32)28-20-13-8-12-19(27)16-20/h3-8,10-16,22H,2,9,17H2,1H3,(H,28,32)(H,30,33)
InChIKeyCZDQTEWGCFEQIZ-UHFFFAOYSA-N
XLogP5.09
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.51
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]butyl]benzamide?
The IUPAC name of N-[1-[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]butyl]benzamide (CID 42892093) is N-[1-[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]butyl]benzamide.
What is the SMILES notation for N-[1-[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]butyl]benzamide?
The canonical SMILES for N-[1-[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]butyl]benzamide is CCCC(NC(=O)c1ccccc1)c1nc2ccccc2n1CC(=O)Nc1cccc(F)c1.
What is the InChIKey of N-[1-[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]butyl]benzamide?
The InChIKey is CZDQTEWGCFEQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O2/c1-2-9-22(30-26(33)18-10-4-3-5-11-18)25-29-21-14-6-7-15-23(21)31(25)17-24(32)28-20-13-8-12-19(27)16-20/h3-8,10-16,22H,2,9,17H2,1H3,(H,28,32)(H,30,33).
What are the key properties of N-[1-[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]butyl]benzamide?
N-[1-[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]butyl]benzamide has a molecular weight of 444.51 g/mol, XLogP of 5.09, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]butyl]benzamide is sourced from PubChem (CID 42892093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).