3-(4-fluoro-1H-benzimidazol-2-yl)-N-(1-hydroxy-3-methylpentan-3-yl)propanamide

C16H22FN3O2 — CID 110002444

IUPAC3-(4-fluoro-1H-benzimidazol-2-yl)-N-(1-hydroxy-3-methylpentan-3-yl)propanamide
SMILESCCC(C)(CCO)NC(=O)CCc1nc2c(F)cccc2[nH]1
InChIInChI=1S/C16H22FN3O2/c1-3-16(2,9-10-21)20-14(22)8-7-13-18-12-6-4-5-11(17)15(12)19-13/h4-6,21H,3,7-10H2,1-2H3,(H,18,19)(H,20,22)
InChIKeySVKYZQBOVWYJRT-UHFFFAOYSA-N
MW307.37 g/mol
LogP2.30
Rot. Bonds7

About 3-(4-fluoro-1H-benzimidazol-2-yl)-N-(1-hydroxy-3-methylpentan-3-yl)propanamide

3-(4-fluoro-1H-benzimidazol-2-yl)-N-(1-hydroxy-3-methylpentan-3-yl)propanamide (PubChem CID 110002444) has the molecular formula C16H22FN3O2 and a molecular weight of 307.37 g/mol. Its IUPAC name is 3-(4-fluoro-1H-benzimidazol-2-yl)-N-(1-hydroxy-3-methylpentan-3-yl)propanamide.

Molecular Properties

Compound Name3-(4-fluoro-1H-benzimidazol-2-yl)-N-(1-hydroxy-3-methylpentan-3-yl)propanamide
PubChem CID110002444
Molecular FormulaC16H22FN3O2
Molecular Weight307.37 g/mol
Exact Mass307.17
IUPAC Name3-(4-fluoro-1H-benzimidazol-2-yl)-N-(1-hydroxy-3-methylpentan-3-yl)propanamide
SMILESCCC(C)(CCO)NC(=O)CCc1nc2c(F)cccc2[nH]1
InChIInChI=1S/C16H22FN3O2/c1-3-16(2,9-10-21)20-14(22)8-7-13-18-12-6-4-5-11(17)15(12)19-13/h4-6,21H,3,7-10H2,1-2H3,(H,18,19)(H,20,22)
InChIKeySVKYZQBOVWYJRT-UHFFFAOYSA-N
XLogP2.30
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluoro-1H-benzimidazol-2-yl)-N-(2-hydroxy-2,5-dimethylhexyl)propanamide
CID 111825763
3-(4-fluoro-1H-benzimidazol-2-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide
CID 111831412
3-(4-fluoro-1H-benzimidazol-2-yl)-N-[(1-hydroxycyclobutyl)methyl]propanamide
CID 111825380
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-methyl-1H-benzimidazol-2-yl)propanamide
CID 119607252
N-[2-(4-fluoro-1H-benzimidazol-2-yl)ethyl]-4-methylaniline
CID 60837376
3-(4-tert-butyl-1H-benzimidazol-2-yl)propanoic acid
CID 84632338
2-(4-fluorophenyl)sulfanyl-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
CID 103945789
3-(4-fluoro-1H-benzimidazol-2-yl)-N-propan-2-ylpropan-1-amine
CID 60837837
N-(1-hydroxy-3-methylpentan-3-yl)propanamide
CID 103946136
5-(4-fluoro-1H-benzimidazol-2-yl)pentan-2-amine
CID 82847015
2,2,2-trifluoro-N-[(4-fluoro-1H-benzimidazol-2-yl)methyl]ethanamine
CID 79257733
N-(1-hydroxy-3-methylpentan-3-yl)-3-(5-methoxy-3-pyridinyl)propanamide
CID 110028276

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-1H-benzimidazol-2-yl)-N-(1-hydroxy-3-methylpentan-3-yl)propanamide?
The IUPAC name of 3-(4-fluoro-1H-benzimidazol-2-yl)-N-(1-hydroxy-3-methylpentan-3-yl)propanamide (CID 110002444) is 3-(4-fluoro-1H-benzimidazol-2-yl)-N-(1-hydroxy-3-methylpentan-3-yl)propanamide.
What is the SMILES notation for 3-(4-fluoro-1H-benzimidazol-2-yl)-N-(1-hydroxy-3-methylpentan-3-yl)propanamide?
The canonical SMILES for 3-(4-fluoro-1H-benzimidazol-2-yl)-N-(1-hydroxy-3-methylpentan-3-yl)propanamide is CCC(C)(CCO)NC(=O)CCc1nc2c(F)cccc2[nH]1.
What is the InChIKey of 3-(4-fluoro-1H-benzimidazol-2-yl)-N-(1-hydroxy-3-methylpentan-3-yl)propanamide?
The InChIKey is SVKYZQBOVWYJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O2/c1-3-16(2,9-10-21)20-14(22)8-7-13-18-12-6-4-5-11(17)15(12)19-13/h4-6,21H,3,7-10H2,1-2H3,(H,18,19)(H,20,22).
What are the key properties of 3-(4-fluoro-1H-benzimidazol-2-yl)-N-(1-hydroxy-3-methylpentan-3-yl)propanamide?
3-(4-fluoro-1H-benzimidazol-2-yl)-N-(1-hydroxy-3-methylpentan-3-yl)propanamide has a molecular weight of 307.37 g/mol, XLogP of 2.30, 7 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-(1-hydroxy-3-methylpentan-3-yl)propanamide is sourced from PubChem (CID 110002444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).