2-(4-amino-2-propylbenzimidazol-1-yl)acetic acid

C12H15N3O2 — CID 67202043

IUPAC2-(4-amino-2-propylbenzimidazol-1-yl)acetic acid
SMILESCCCc1nc2c(N)cccc2n1CC(=O)O
InChIInChI=1S/C12H15N3O2/c1-2-4-10-14-12-8(13)5-3-6-9(12)15(10)7-11(16)17/h3,5-6H,2,4,7,13H2,1H3,(H,16,17)
InChIKeyCGLDLIVNUPNBJY-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.66
Rot. Bonds4

About 2-(4-amino-2-propylbenzimidazol-1-yl)acetic acid

2-(4-amino-2-propylbenzimidazol-1-yl)acetic acid (PubChem CID 67202043) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-(4-amino-2-propylbenzimidazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(4-amino-2-propylbenzimidazol-1-yl)acetic acid
PubChem CID67202043
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name2-(4-amino-2-propylbenzimidazol-1-yl)acetic acid
SMILESCCCc1nc2c(N)cccc2n1CC(=O)O
InChIInChI=1S/C12H15N3O2/c1-2-4-10-14-12-8(13)5-3-6-9(12)15(10)7-11(16)17/h3,5-6H,2,4,7,13H2,1H3,(H,16,17)
InChIKeyCGLDLIVNUPNBJY-UHFFFAOYSA-N
XLogP1.66
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 ≤ 51.66
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 2-(4-amino-2-propylbenzimidazol-1-yl)acetic acid?
The IUPAC name of 2-(4-amino-2-propylbenzimidazol-1-yl)acetic acid (CID 67202043) is 2-(4-amino-2-propylbenzimidazol-1-yl)acetic acid.
What is the SMILES notation for 2-(4-amino-2-propylbenzimidazol-1-yl)acetic acid?
The canonical SMILES for 2-(4-amino-2-propylbenzimidazol-1-yl)acetic acid is CCCc1nc2c(N)cccc2n1CC(=O)O.
What is the InChIKey of 2-(4-amino-2-propylbenzimidazol-1-yl)acetic acid?
The InChIKey is CGLDLIVNUPNBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-2-4-10-14-12-8(13)5-3-6-9(12)15(10)7-11(16)17/h3,5-6H,2,4,7,13H2,1H3,(H,16,17).
What are the key properties of 2-(4-amino-2-propylbenzimidazol-1-yl)acetic acid?
2-(4-amino-2-propylbenzimidazol-1-yl)acetic acid has a molecular weight of 233.27 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-propylbenzimidazol-1-yl)acetic acid is sourced from PubChem (CID 67202043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).