5-(2-amino-5-fluoro-6-methylbenzimidazol-1-yl)pentanamide

C13H17FN4O — CID 106240006

IUPAC5-(2-amino-5-fluoro-6-methylbenzimidazol-1-yl)pentanamide
SMILESCc1cc2c(cc1F)nc(N)n2CCCCC(N)=O
InChIInChI=1S/C13H17FN4O/c1-8-6-11-10(7-9(8)14)17-13(16)18(11)5-3-2-4-12(15)19/h6-7H,2-5H2,1H3,(H2,15,19)(H2,16,17)
InChIKeyHAFOIAAREBQOJG-UHFFFAOYSA-N
MW264.30 g/mol
LogP1.72
Rot. Bonds5

About 5-(2-amino-5-fluoro-6-methylbenzimidazol-1-yl)pentanamide

5-(2-amino-5-fluoro-6-methylbenzimidazol-1-yl)pentanamide (PubChem CID 106240006) has the molecular formula C13H17FN4O and a molecular weight of 264.30 g/mol. Its IUPAC name is 5-(2-amino-5-fluoro-6-methylbenzimidazol-1-yl)pentanamide.

Molecular Properties

Compound Name5-(2-amino-5-fluoro-6-methylbenzimidazol-1-yl)pentanamide
PubChem CID106240006
Molecular FormulaC13H17FN4O
Molecular Weight264.30 g/mol
Exact Mass264.14
IUPAC Name5-(2-amino-5-fluoro-6-methylbenzimidazol-1-yl)pentanamide
SMILESCc1cc2c(cc1F)nc(N)n2CCCCC(N)=O
InChIInChI=1S/C13H17FN4O/c1-8-6-11-10(7-9(8)14)17-13(16)18(11)5-3-2-4-12(15)19/h6-7H,2-5H2,1H3,(H2,15,19)(H2,16,17)
InChIKeyHAFOIAAREBQOJG-UHFFFAOYSA-N
XLogP1.72
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-(2-amino-5-fluoro-6-methylbenzimidazol-1-yl)pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-fluoro-6-methyl-1-(5,5,5-trifluoropentyl)benzimidazol-2-amine
CID 103593064
5-(2-amino-6-fluoro-5-iodobenzimidazol-1-yl)pentanamide
CID 106239994
5-fluoro-6-methyl-1-(7-methyloctyl)benzimidazol-2-amine
CID 107816923
5-(2-amino-5-methylbenzimidazol-1-yl)pentanamide
CID 106239939
3-(2-amino-5-fluoro-6-methylbenzimidazol-1-yl)-N-cyclopropylpropanamide
CID 103593026
1-(3-butoxypropyl)-5-fluoro-6-methylbenzimidazol-2-amine
CID 103593135
4-(2-amino-5,6-difluorobenzimidazol-1-yl)butanoic acid
CID 82359205
5-fluoro-1-[2-(2-methoxyethoxy)ethyl]-6-methylbenzimidazol-2-amine
CID 103592868
1-(2-ethylsulfinylethyl)-5-fluoro-6-methylbenzimidazol-2-amine
CID 103593147
2-(2-amino-5-fluoro-6-methylbenzimidazol-1-yl)-1-pyrrolidin-1-ylethanone
CID 103593098
1-heptyl-5,6-dimethylbenzimidazol-2-amine
CID 82359044
5-fluoro-6-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine
CID 103592941

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-5-fluoro-6-methylbenzimidazol-1-yl)pentanamide?
The IUPAC name of 5-(2-amino-5-fluoro-6-methylbenzimidazol-1-yl)pentanamide (CID 106240006) is 5-(2-amino-5-fluoro-6-methylbenzimidazol-1-yl)pentanamide.
What is the SMILES notation for 5-(2-amino-5-fluoro-6-methylbenzimidazol-1-yl)pentanamide?
The canonical SMILES for 5-(2-amino-5-fluoro-6-methylbenzimidazol-1-yl)pentanamide is Cc1cc2c(cc1F)nc(N)n2CCCCC(N)=O.
What is the InChIKey of 5-(2-amino-5-fluoro-6-methylbenzimidazol-1-yl)pentanamide?
The InChIKey is HAFOIAAREBQOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4O/c1-8-6-11-10(7-9(8)14)17-13(16)18(11)5-3-2-4-12(15)19/h6-7H,2-5H2,1H3,(H2,15,19)(H2,16,17).
What are the key properties of 5-(2-amino-5-fluoro-6-methylbenzimidazol-1-yl)pentanamide?
5-(2-amino-5-fluoro-6-methylbenzimidazol-1-yl)pentanamide has a molecular weight of 264.30 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-5-fluoro-6-methylbenzimidazol-1-yl)pentanamide is sourced from PubChem (CID 106240006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).