5-(2-amino-5,6-dimethylbenzimidazol-1-yl)pentanoic acid

C14H19N3O2 — CID 657047

IUPAC5-(2-amino-5,6-dimethylbenzimidazol-1-yl)pentanoic acid
SMILESCc1cc2nc(N)n(CCCCC(=O)O)c2cc1C
InChIInChI=1S/C14H19N3O2/c1-9-7-11-12(8-10(9)2)17(14(15)16-11)6-4-3-5-13(18)19/h7-8H,3-6H2,1-2H3,(H2,15,16)(H,18,19)
InChIKeyONFQTORHROMJSV-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.49
Rot. Bonds5

About 5-(2-amino-5,6-dimethylbenzimidazol-1-yl)pentanoic acid

5-(2-amino-5,6-dimethylbenzimidazol-1-yl)pentanoic acid (PubChem CID 657047) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 5-(2-amino-5,6-dimethylbenzimidazol-1-yl)pentanoic acid.

Molecular Properties

Compound Name5-(2-amino-5,6-dimethylbenzimidazol-1-yl)pentanoic acid
PubChem CID657047
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name5-(2-amino-5,6-dimethylbenzimidazol-1-yl)pentanoic acid
SMILESCc1cc2nc(N)n(CCCCC(=O)O)c2cc1C
InChIInChI=1S/C14H19N3O2/c1-9-7-11-12(8-10(9)2)17(14(15)16-11)6-4-3-5-13(18)19/h7-8H,3-6H2,1-2H3,(H2,15,16)(H,18,19)
InChIKeyONFQTORHROMJSV-UHFFFAOYSA-N
XLogP2.49
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.49
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-Butyl-5,6-dimethyl-1H-benzimidazole
CID 2130268
3,3-Dimethyl-4-[1-(4-nitro-benzyl)-1H-benzoimidazol-2-yl]-butyric acid
CID 14953106
US10442772, Example 2-164
CID 118310766
3-(2-Benzyl-benzoimidazol-1-yl)-propionic acid
CID 1098330
(5,6-Dimethyl-1H-benzimidazol-1-yl)acetic acid
CID 424323
N-tert-butyl-3-(5,6-dimethylbenzimidazol-1-yl)propanamide
CID 856583
5,6-Dimethyl-1-(2-methylprop-2-enyl)benzimidazole
CID 962379
5-Methyl-1-pentylbenzimidazol-2-amine
CID 43661477
6-Methyl-1-pentylbenzimidazol-2-amine
CID 80068544
3-[6-methyl-2-[4-(trifluoromethyl)anilino]-1-[(1S,5S)-3,3,5-trimethylcyclohexyl]benzimidazol-5-yl]propanoic acid
CID 118310626
US10442772, Example 2-165
CID 118310629
3-[1-[3-(3-Methylanilino)-3-oxopropyl]benzimidazol-2-yl]propanoic acid
CID 155538914

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-5,6-dimethylbenzimidazol-1-yl)pentanoic acid?
The IUPAC name of 5-(2-amino-5,6-dimethylbenzimidazol-1-yl)pentanoic acid (CID 657047) is 5-(2-amino-5,6-dimethylbenzimidazol-1-yl)pentanoic acid.
What is the SMILES notation for 5-(2-amino-5,6-dimethylbenzimidazol-1-yl)pentanoic acid?
The canonical SMILES for 5-(2-amino-5,6-dimethylbenzimidazol-1-yl)pentanoic acid is Cc1cc2nc(N)n(CCCCC(=O)O)c2cc1C.
What is the InChIKey of 5-(2-amino-5,6-dimethylbenzimidazol-1-yl)pentanoic acid?
The InChIKey is ONFQTORHROMJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-9-7-11-12(8-10(9)2)17(14(15)16-11)6-4-3-5-13(18)19/h7-8H,3-6H2,1-2H3,(H2,15,16)(H,18,19).
What are the key properties of 5-(2-amino-5,6-dimethylbenzimidazol-1-yl)pentanoic acid?
5-(2-amino-5,6-dimethylbenzimidazol-1-yl)pentanoic acid has a molecular weight of 261.32 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-5,6-dimethylbenzimidazol-1-yl)pentanoic acid is sourced from PubChem (CID 657047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).