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

C13H18N4O — CID 106239939

IUPAC5-(2-amino-5-methylbenzimidazol-1-yl)pentanamide
SMILESCc1ccc2c(c1)nc(N)n2CCCCC(N)=O
InChIInChI=1S/C13H18N4O/c1-9-5-6-11-10(8-9)16-13(15)17(11)7-3-2-4-12(14)18/h5-6,8H,2-4,7H2,1H3,(H2,14,18)(H2,15,16)
InChIKeyNMJPQGBHAWGWMW-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.58
Rot. Bonds5

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

5-(2-amino-5-methylbenzimidazol-1-yl)pentanamide (PubChem CID 106239939) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 5-(2-amino-5-methylbenzimidazol-1-yl)pentanamide.

Molecular Properties

Compound Name5-(2-amino-5-methylbenzimidazol-1-yl)pentanamide
PubChem CID106239939
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name5-(2-amino-5-methylbenzimidazol-1-yl)pentanamide
SMILESCc1ccc2c(c1)nc(N)n2CCCCC(N)=O
InChIInChI=1S/C13H18N4O/c1-9-5-6-11-10(8-9)16-13(15)17(11)7-3-2-4-12(14)18/h5-6,8H,2-4,7H2,1H3,(H2,14,18)(H2,15,16)
InChIKeyNMJPQGBHAWGWMW-UHFFFAOYSA-N
XLogP1.58
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-aminoethyl)-5-methylbenzimidazol-2-amine
CID 84771588
5-(2-amino-5-fluoro-6-methylbenzimidazol-1-yl)pentanamide
CID 106240006
4-[2-(1-chloroethyl)-5-methylbenzimidazol-1-yl]butanamide
CID 60863978
5-methyl-1-[3-[methyl(propan-2-yl)amino]propyl]benzimidazol-2-amine
CID 106035839
5-methyl-1-(3-phenoxypropyl)benzimidazol-2-amine
CID 62378956
5-(2-amino-5-methylimidazo[4,5-b]pyridin-3-yl)pentanamide
CID 106239996
5-(2-amino-6-fluoro-5-iodobenzimidazol-1-yl)pentanamide
CID 106239994
4-(5-amino-2-ethylbenzimidazol-1-yl)butanamide
CID 62508369
5-methyl-1-(2-pyrazol-1-ylethyl)benzimidazol-2-amine
CID 54951144
2-amino-1-butylbenzimidazole-5-carboxylic acid
CID 91671806
1-[2-(4-fluorophenyl)ethyl]-5-methylbenzimidazol-2-amine
CID 43661501
5-methyl-1-(2-morpholin-4-ylethyl)benzimidazol-2-amine
CID 43661563

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-5-methylbenzimidazol-1-yl)pentanamide?
The IUPAC name of 5-(2-amino-5-methylbenzimidazol-1-yl)pentanamide (CID 106239939) is 5-(2-amino-5-methylbenzimidazol-1-yl)pentanamide.
What is the SMILES notation for 5-(2-amino-5-methylbenzimidazol-1-yl)pentanamide?
The canonical SMILES for 5-(2-amino-5-methylbenzimidazol-1-yl)pentanamide is Cc1ccc2c(c1)nc(N)n2CCCCC(N)=O.
What is the InChIKey of 5-(2-amino-5-methylbenzimidazol-1-yl)pentanamide?
The InChIKey is NMJPQGBHAWGWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-9-5-6-11-10(8-9)16-13(15)17(11)7-3-2-4-12(14)18/h5-6,8H,2-4,7H2,1H3,(H2,14,18)(H2,15,16).
What are the key properties of 5-(2-amino-5-methylbenzimidazol-1-yl)pentanamide?
5-(2-amino-5-methylbenzimidazol-1-yl)pentanamide has a molecular weight of 246.31 g/mol, XLogP of 1.58, 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-methylbenzimidazol-1-yl)pentanamide is sourced from PubChem (CID 106239939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).