2-[2-(ethylamino)benzimidazol-1-yl]-2-methylpropanoic acid

C13H17N3O2 — CID 82359602

IUPAC2-[2-(ethylamino)benzimidazol-1-yl]-2-methylpropanoic acid
SMILESCCNc1nc2ccccc2n1C(C)(C)C(=O)O
InChIInChI=1S/C13H17N3O2/c1-4-14-12-15-9-7-5-6-8-10(9)16(12)13(2,3)11(17)18/h5-8H,4H2,1-3H3,(H,14,15)(H,17,18)
InChIKeyRGKIPEHOACBCTC-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.29
Rot. Bonds4

About 2-[2-(ethylamino)benzimidazol-1-yl]-2-methylpropanoic acid

2-[2-(ethylamino)benzimidazol-1-yl]-2-methylpropanoic acid (PubChem CID 82359602) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-[2-(ethylamino)benzimidazol-1-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[2-(ethylamino)benzimidazol-1-yl]-2-methylpropanoic acid
PubChem CID82359602
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name2-[2-(ethylamino)benzimidazol-1-yl]-2-methylpropanoic acid
SMILESCCNc1nc2ccccc2n1C(C)(C)C(=O)O
InChIInChI=1S/C13H17N3O2/c1-4-14-12-15-9-7-5-6-8-10(9)16(12)13(2,3)11(17)18/h5-8H,4H2,1-3H3,(H,14,15)(H,17,18)
InChIKeyRGKIPEHOACBCTC-UHFFFAOYSA-N
XLogP2.29
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-[2-(propylamino)benzimidazol-1-yl]propanoic acid
CID 82359757
2-N-ethylbenzimidazole-1,2-diamine
CID 45078021
2-methyl-2-(2-propan-2-ylbenzimidazol-1-yl)propanoic acid
CID 82144552
2-[2-(ethylamino)benzimidazol-1-yl]-2-phenylacetic acid
CID 82359608
4-[2-(ethylamino)benzimidazol-1-yl]butan-2-one
CID 82359609
2-hydroxy-2-methyl-3-[(1-methylbenzimidazol-2-yl)amino]propanoic acid
CID 122060919
2-methyl-2-[(1-methylbenzimidazol-2-yl)amino]propanoic acid
CID 83841073
N-ethyl-1-(methoxymethyl)benzimidazol-2-amine
CID 82359568
methyl 2-[2-(ethylamino)benzimidazol-1-yl]propanoate
CID 82359524
2-methyl-2-(methylamino)-3-(2-propylbenzimidazol-1-yl)propanoic acid
CID 115970892
butan-2-yl 2-[2-(ethylamino)benzimidazol-1-yl]propanoate
CID 82359536
N-cyclopentyl-2-[2-(ethylamino)benzimidazol-1-yl]acetamide
CID 82359517

Frequently Asked Questions

What is the IUPAC name of 2-[2-(ethylamino)benzimidazol-1-yl]-2-methylpropanoic acid?
The IUPAC name of 2-[2-(ethylamino)benzimidazol-1-yl]-2-methylpropanoic acid (CID 82359602) is 2-[2-(ethylamino)benzimidazol-1-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[2-(ethylamino)benzimidazol-1-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-[2-(ethylamino)benzimidazol-1-yl]-2-methylpropanoic acid is CCNc1nc2ccccc2n1C(C)(C)C(=O)O.
What is the InChIKey of 2-[2-(ethylamino)benzimidazol-1-yl]-2-methylpropanoic acid?
The InChIKey is RGKIPEHOACBCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-4-14-12-15-9-7-5-6-8-10(9)16(12)13(2,3)11(17)18/h5-8H,4H2,1-3H3,(H,14,15)(H,17,18).
What are the key properties of 2-[2-(ethylamino)benzimidazol-1-yl]-2-methylpropanoic acid?
2-[2-(ethylamino)benzimidazol-1-yl]-2-methylpropanoic acid has a molecular weight of 247.30 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(ethylamino)benzimidazol-1-yl]-2-methylpropanoic acid is sourced from PubChem (CID 82359602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).