2-(5,6-difluorobenzimidazol-1-yl)-N-(3-methylbutyl)propanamide

C15H19F2N3O — CID 116620839

IUPAC2-(5,6-difluorobenzimidazol-1-yl)-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)C(C)n1cnc2cc(F)c(F)cc21
InChIInChI=1S/C15H19F2N3O/c1-9(2)4-5-18-15(21)10(3)20-8-19-13-6-11(16)12(17)7-14(13)20/h6-10H,4-5H2,1-3H3,(H,18,21)
InChIKeyJLEQLZNMSTYKOJ-UHFFFAOYSA-N
MW295.33 g/mol
LogP3.04
Rot. Bonds5

About 2-(5,6-difluorobenzimidazol-1-yl)-N-(3-methylbutyl)propanamide

2-(5,6-difluorobenzimidazol-1-yl)-N-(3-methylbutyl)propanamide (PubChem CID 116620839) has the molecular formula C15H19F2N3O and a molecular weight of 295.33 g/mol. Its IUPAC name is 2-(5,6-difluorobenzimidazol-1-yl)-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name2-(5,6-difluorobenzimidazol-1-yl)-N-(3-methylbutyl)propanamide
PubChem CID116620839
Molecular FormulaC15H19F2N3O
Molecular Weight295.33 g/mol
Exact Mass295.15
IUPAC Name2-(5,6-difluorobenzimidazol-1-yl)-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)C(C)n1cnc2cc(F)c(F)cc21
InChIInChI=1S/C15H19F2N3O/c1-9(2)4-5-18-15(21)10(3)20-8-19-13-6-11(16)12(17)7-14(13)20/h6-10H,4-5H2,1-3H3,(H,18,21)
InChIKeyJLEQLZNMSTYKOJ-UHFFFAOYSA-N
XLogP3.04
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(5,6-difluorobenzimidazol-1-yl)propanoic acid
CID 93312444
2-(5,6-difluorobenzimidazol-1-yl)hexanoic acid
CID 113373538
3-(5,6-difluorobenzimidazol-1-yl)-2-methylpropanehydrazide
CID 63577776
(2S)-2-(5,6-difluorobenzimidazol-1-yl)-3-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butanamide
CID 52521668
2-(5,6-difluorobenzimidazol-1-yl)-3-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butanamide
CID 49019919
(2R)-2-(5,6-difluorobenzimidazol-1-yl)-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]butanamide
CID 94815576
2-(benzimidazol-1-yl)-N-(3-hydroxy-4-methoxybutyl)propanamide
CID 103876740
5,6-difluoro-1-(1-phenylethyl)benzimidazole
CID 116620795
N-[2-[2-(benzimidazol-1-yl)propanoylamino]ethyl]benzamide
CID 42959454
1-[1-oxo-1-(propan-2-ylamino)propan-2-yl]benzimidazole-5-carboxylic acid
CID 45282385
(6-fluoro-1-propan-2-ylbenzimidazol-5-yl)boronic acid
CID 75485922
2-(benzimidazol-1-yl)-N-(2-hydroxypentyl)propanamide
CID 115700986

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-difluorobenzimidazol-1-yl)-N-(3-methylbutyl)propanamide?
The IUPAC name of 2-(5,6-difluorobenzimidazol-1-yl)-N-(3-methylbutyl)propanamide (CID 116620839) is 2-(5,6-difluorobenzimidazol-1-yl)-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 2-(5,6-difluorobenzimidazol-1-yl)-N-(3-methylbutyl)propanamide?
The canonical SMILES for 2-(5,6-difluorobenzimidazol-1-yl)-N-(3-methylbutyl)propanamide is CC(C)CCNC(=O)C(C)n1cnc2cc(F)c(F)cc21.
What is the InChIKey of 2-(5,6-difluorobenzimidazol-1-yl)-N-(3-methylbutyl)propanamide?
The InChIKey is JLEQLZNMSTYKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3O/c1-9(2)4-5-18-15(21)10(3)20-8-19-13-6-11(16)12(17)7-14(13)20/h6-10H,4-5H2,1-3H3,(H,18,21).
What are the key properties of 2-(5,6-difluorobenzimidazol-1-yl)-N-(3-methylbutyl)propanamide?
2-(5,6-difluorobenzimidazol-1-yl)-N-(3-methylbutyl)propanamide has a molecular weight of 295.33 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-difluorobenzimidazol-1-yl)-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 116620839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).