2-methyl-2-[(1-methylbenzimidazol-2-yl)amino]propanoic acid

C12H15N3O2 — CID 83841073

IUPAC2-methyl-2-[(1-methylbenzimidazol-2-yl)amino]propanoic acid
SMILESCn1c(NC(C)(C)C(=O)O)nc2ccccc21
InChIInChI=1S/C12H15N3O2/c1-12(2,10(16)17)14-11-13-8-6-4-5-7-9(8)15(11)3/h4-7H,1-3H3,(H,13,14)(H,16,17)
InChIKeyZWUWXYLWGWVTLQ-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.85
Rot. Bonds3

About 2-methyl-2-[(1-methylbenzimidazol-2-yl)amino]propanoic acid

2-methyl-2-[(1-methylbenzimidazol-2-yl)amino]propanoic acid (PubChem CID 83841073) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-methyl-2-[(1-methylbenzimidazol-2-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(1-methylbenzimidazol-2-yl)amino]propanoic acid
PubChem CID83841073
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name2-methyl-2-[(1-methylbenzimidazol-2-yl)amino]propanoic acid
SMILESCn1c(NC(C)(C)C(=O)O)nc2ccccc21
InChIInChI=1S/C12H15N3O2/c1-12(2,10(16)17)14-11-13-8-6-4-5-7-9(8)15(11)3/h4-7H,1-3H3,(H,13,14)(H,16,17)
InChIKeyZWUWXYLWGWVTLQ-UHFFFAOYSA-N
XLogP1.85
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-[(1-methylimidazo[4,5-c]pyridin-2-yl)amino]propanoic acid
CID 83841437
2-hydroxy-2-methyl-3-[(1-methylbenzimidazol-2-yl)amino]propanoic acid
CID 122060919
2,3-dimethyl-3-[(1-methylbenzimidazol-2-yl)amino]butan-2-ol
CID 106185170
2-methyl-2-[(1-methylbenzimidazol-2-yl)amino]propan-1-ol
CID 923791
2-[(1-methylbenzimidazol-2-yl)amino]propanoic acid
CID 83836910
2-[2-(ethylamino)benzimidazol-1-yl]-2-methylpropanoic acid
CID 82359602
N-(1-methylbenzimidazol-2-yl)formamide
CID 142858770
3-tert-butyl-N-(1-methylbenzimidazol-2-yl)benzamide
CID 139382529
2-methyl-2-[2-(propylamino)benzimidazol-1-yl]propanoic acid
CID 82359757
N-(1-methylbenzimidazol-2-yl)-4-phenoxybenzamide
CID 72725713
2-[(1-methylbenzimidazol-2-yl)amino]ethanethiol
CID 21226750
2,2-dimethyl-N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 751106

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(1-methylbenzimidazol-2-yl)amino]propanoic acid?
The IUPAC name of 2-methyl-2-[(1-methylbenzimidazol-2-yl)amino]propanoic acid (CID 83841073) is 2-methyl-2-[(1-methylbenzimidazol-2-yl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[(1-methylbenzimidazol-2-yl)amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[(1-methylbenzimidazol-2-yl)amino]propanoic acid is Cn1c(NC(C)(C)C(=O)O)nc2ccccc21.
What is the InChIKey of 2-methyl-2-[(1-methylbenzimidazol-2-yl)amino]propanoic acid?
The InChIKey is ZWUWXYLWGWVTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-12(2,10(16)17)14-11-13-8-6-4-5-7-9(8)15(11)3/h4-7H,1-3H3,(H,13,14)(H,16,17).
What are the key properties of 2-methyl-2-[(1-methylbenzimidazol-2-yl)amino]propanoic acid?
2-methyl-2-[(1-methylbenzimidazol-2-yl)amino]propanoic acid has a molecular weight of 233.27 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(1-methylbenzimidazol-2-yl)amino]propanoic acid is sourced from PubChem (CID 83841073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).