4-(5-amino-1-methylbenzimidazol-2-yl)butanoic acid

C12H15N3O2 — CID 6488083

IUPAC4-(5-amino-1-methylbenzimidazol-2-yl)butanoic acid
SMILESCn1c(CCCC(=O)O)nc2cc(N)ccc21
InChIInChI=1S/C12H15N3O2/c1-15-10-6-5-8(13)7-9(10)14-11(15)3-2-4-12(16)17/h5-7H,2-4,13H2,1H3,(H,16,17)
InChIKeyOLZMGZSRWXDGRO-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.56
Rot. Bonds4

About 4-(5-amino-1-methylbenzimidazol-2-yl)butanoic acid

4-(5-amino-1-methylbenzimidazol-2-yl)butanoic acid (PubChem CID 6488083) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 4-(5-amino-1-methylbenzimidazol-2-yl)butanoic acid.

Molecular Properties

Compound Name4-(5-amino-1-methylbenzimidazol-2-yl)butanoic acid
PubChem CID6488083
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name4-(5-amino-1-methylbenzimidazol-2-yl)butanoic acid
SMILESCn1c(CCCC(=O)O)nc2cc(N)ccc21
InChIInChI=1S/C12H15N3O2/c1-15-10-6-5-8(13)7-9(10)14-11(15)3-2-4-12(16)17/h5-7H,2-4,13H2,1H3,(H,16,17)
InChIKeyOLZMGZSRWXDGRO-UHFFFAOYSA-N
XLogP1.56
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-1-methylbenzimidazol-2-yl)butanoic acid?
The IUPAC name of 4-(5-amino-1-methylbenzimidazol-2-yl)butanoic acid (CID 6488083) is 4-(5-amino-1-methylbenzimidazol-2-yl)butanoic acid.
What is the SMILES notation for 4-(5-amino-1-methylbenzimidazol-2-yl)butanoic acid?
The canonical SMILES for 4-(5-amino-1-methylbenzimidazol-2-yl)butanoic acid is Cn1c(CCCC(=O)O)nc2cc(N)ccc21.
What is the InChIKey of 4-(5-amino-1-methylbenzimidazol-2-yl)butanoic acid?
The InChIKey is OLZMGZSRWXDGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-15-10-6-5-8(13)7-9(10)14-11(15)3-2-4-12(16)17/h5-7H,2-4,13H2,1H3,(H,16,17).
What are the key properties of 4-(5-amino-1-methylbenzimidazol-2-yl)butanoic acid?
4-(5-amino-1-methylbenzimidazol-2-yl)butanoic acid has a molecular weight of 233.27 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-1-methylbenzimidazol-2-yl)butanoic acid is sourced from PubChem (CID 6488083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).