2-ethyl-N-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]butanamide

C21H24FN3O — CID 17006380

IUPAC2-ethyl-N-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]butanamide
SMILESCCC(CC)C(=O)NCc1nc2ccccc2n1Cc1ccc(F)cc1
InChIInChI=1S/C21H24FN3O/c1-3-16(4-2)21(26)23-13-20-24-18-7-5-6-8-19(18)25(20)14-15-9-11-17(22)12-10-15/h5-12,16H,3-4,13-14H2,1-2H3,(H,23,26)
InChIKeyFXPPYMKOEHGBSF-UHFFFAOYSA-N
MW353.44 g/mol
LogP4.28
Rot. Bonds7

About 2-ethyl-N-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]butanamide

2-ethyl-N-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]butanamide (PubChem CID 17006380) has the molecular formula C21H24FN3O and a molecular weight of 353.44 g/mol. Its IUPAC name is 2-ethyl-N-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]butanamide
PubChem CID17006380
Molecular FormulaC21H24FN3O
Molecular Weight353.44 g/mol
Exact Mass353.19
IUPAC Name2-ethyl-N-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]butanamide
SMILESCCC(CC)C(=O)NCc1nc2ccccc2n1Cc1ccc(F)cc1
InChIInChI=1S/C21H24FN3O/c1-3-16(4-2)21(26)23-13-20-24-18-7-5-6-8-19(18)25(20)14-15-9-11-17(22)12-10-15/h5-12,16H,3-4,13-14H2,1-2H3,(H,23,26)
InChIKeyFXPPYMKOEHGBSF-UHFFFAOYSA-N
XLogP4.28
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-N-[[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]methyl]butanamide
CID 17006384
N-[[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-2-ethylbutanamide
CID 17006374
N-[2-(1-benzylbenzimidazol-2-yl)ethyl]-2-ethylbutanamide
CID 16974712
4-fluoro-N-[[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 17008866
N-[2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylpropanamide
CID 976977
2-ethyl-N-[3-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]propyl]butanamide
CID 16980992
N-[(1-butylbenzimidazol-2-yl)methyl]-2-ethylbutanamide
CID 17006351
N-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-3-phenylpropanamide
CID 16970622
2-ethyl-N-[(1-octadecylbenzimidazol-2-yl)methyl]butanamide
CID 17006363
tert-butyl N-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methylamino]butan-2-yl]-N-methylcarbamate
CID 57110006
2-(4-chlorophenoxy)-N-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]acetamide
CID 16971102
N-[[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]methyl]propanamide
CID 17006059

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]butanamide?
The IUPAC name of 2-ethyl-N-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]butanamide (CID 17006380) is 2-ethyl-N-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]butanamide?
The canonical SMILES for 2-ethyl-N-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]butanamide is CCC(CC)C(=O)NCc1nc2ccccc2n1Cc1ccc(F)cc1.
What is the InChIKey of 2-ethyl-N-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]butanamide?
The InChIKey is FXPPYMKOEHGBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O/c1-3-16(4-2)21(26)23-13-20-24-18-7-5-6-8-19(18)25(20)14-15-9-11-17(22)12-10-15/h5-12,16H,3-4,13-14H2,1-2H3,(H,23,26).
What are the key properties of 2-ethyl-N-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]butanamide?
2-ethyl-N-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]butanamide has a molecular weight of 353.44 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]butanamide is sourced from PubChem (CID 17006380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).