3-(4-fluoro-1H-benzimidazol-2-yl)-N-(2-hydroxy-2,5-dimethylhexyl)propanamide

C18H26FN3O2 — CID 111825763

IUPAC3-(4-fluoro-1H-benzimidazol-2-yl)-N-(2-hydroxy-2,5-dimethylhexyl)propanamide
SMILESCC(C)CCC(C)(O)CNC(=O)CCc1nc2c(F)cccc2[nH]1
InChIInChI=1S/C18H26FN3O2/c1-12(2)9-10-18(3,24)11-20-16(23)8-7-15-21-14-6-4-5-13(19)17(14)22-15/h4-6,12,24H,7-11H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyJLSUVOQWEMJFNP-UHFFFAOYSA-N
MW335.42 g/mol
LogP2.94
Rot. Bonds8

About 3-(4-fluoro-1H-benzimidazol-2-yl)-N-(2-hydroxy-2,5-dimethylhexyl)propanamide

3-(4-fluoro-1H-benzimidazol-2-yl)-N-(2-hydroxy-2,5-dimethylhexyl)propanamide (PubChem CID 111825763) has the molecular formula C18H26FN3O2 and a molecular weight of 335.42 g/mol. Its IUPAC name is 3-(4-fluoro-1H-benzimidazol-2-yl)-N-(2-hydroxy-2,5-dimethylhexyl)propanamide.

Molecular Properties

Compound Name3-(4-fluoro-1H-benzimidazol-2-yl)-N-(2-hydroxy-2,5-dimethylhexyl)propanamide
PubChem CID111825763
Molecular FormulaC18H26FN3O2
Molecular Weight335.42 g/mol
Exact Mass335.20
IUPAC Name3-(4-fluoro-1H-benzimidazol-2-yl)-N-(2-hydroxy-2,5-dimethylhexyl)propanamide
SMILESCC(C)CCC(C)(O)CNC(=O)CCc1nc2c(F)cccc2[nH]1
InChIInChI=1S/C18H26FN3O2/c1-12(2)9-10-18(3,24)11-20-16(23)8-7-15-21-14-6-4-5-13(19)17(14)22-15/h4-6,12,24H,7-11H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyJLSUVOQWEMJFNP-UHFFFAOYSA-N
XLogP2.94
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluoro-1H-benzimidazol-2-yl)-N-(1-hydroxy-3-methylpentan-3-yl)propanamide
CID 110002444
3-(4-fluoro-1H-benzimidazol-2-yl)-N-[(1-hydroxycyclobutyl)methyl]propanamide
CID 111825380
3-(4-fluoro-1H-benzimidazol-2-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide
CID 111831412
N-(3-aminobutyl)-3-(4-methyl-1H-benzimidazol-2-yl)propanamide
CID 119497235
4,4,4-trifluoro-N-(2-hydroxy-2,5-dimethylhexyl)butanamide
CID 111485192
tert-butyl N-[(4-fluoro-1H-benzimidazol-2-yl)methyl]carbamate
CID 118996720
5-(4-fluoro-1H-benzimidazol-2-yl)pentan-2-amine
CID 82847015
3-[3-(1H-benzimidazol-2-yl)propanoylamino]-2-hydroxy-2-methylpropanoic acid
CID 66172764
1-(2-hydroxy-2,5-dimethylhexyl)-3-(1H-indol-2-ylmethyl)urea
CID 111454969
3-(4-fluoro-1H-benzimidazol-2-yl)-N-propan-2-ylpropan-1-amine
CID 60837837
N-[2-(4-fluoro-1H-benzimidazol-2-yl)ethyl]-4-methylaniline
CID 60837376
2-(2,4-difluorophenoxy)-N-(2-hydroxy-2,5-dimethylhexyl)acetamide
CID 111485139

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-1H-benzimidazol-2-yl)-N-(2-hydroxy-2,5-dimethylhexyl)propanamide?
The IUPAC name of 3-(4-fluoro-1H-benzimidazol-2-yl)-N-(2-hydroxy-2,5-dimethylhexyl)propanamide (CID 111825763) is 3-(4-fluoro-1H-benzimidazol-2-yl)-N-(2-hydroxy-2,5-dimethylhexyl)propanamide.
What is the SMILES notation for 3-(4-fluoro-1H-benzimidazol-2-yl)-N-(2-hydroxy-2,5-dimethylhexyl)propanamide?
The canonical SMILES for 3-(4-fluoro-1H-benzimidazol-2-yl)-N-(2-hydroxy-2,5-dimethylhexyl)propanamide is CC(C)CCC(C)(O)CNC(=O)CCc1nc2c(F)cccc2[nH]1.
What is the InChIKey of 3-(4-fluoro-1H-benzimidazol-2-yl)-N-(2-hydroxy-2,5-dimethylhexyl)propanamide?
The InChIKey is JLSUVOQWEMJFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O2/c1-12(2)9-10-18(3,24)11-20-16(23)8-7-15-21-14-6-4-5-13(19)17(14)22-15/h4-6,12,24H,7-11H2,1-3H3,(H,20,23)(H,21,22).
What are the key properties of 3-(4-fluoro-1H-benzimidazol-2-yl)-N-(2-hydroxy-2,5-dimethylhexyl)propanamide?
3-(4-fluoro-1H-benzimidazol-2-yl)-N-(2-hydroxy-2,5-dimethylhexyl)propanamide has a molecular weight of 335.42 g/mol, XLogP of 2.94, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-1H-benzimidazol-2-yl)-N-(2-hydroxy-2,5-dimethylhexyl)propanamide is sourced from PubChem (CID 111825763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).