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

C17H17N3O2 — CID 82359608

IUPAC2-[2-(ethylamino)benzimidazol-1-yl]-2-phenylacetic acid
SMILESCCNc1nc2ccccc2n1C(C(=O)O)c1ccccc1
InChIInChI=1S/C17H17N3O2/c1-2-18-17-19-13-10-6-7-11-14(13)20(17)15(16(21)22)12-8-4-3-5-9-12/h3-11,15H,2H2,1H3,(H,18,19)(H,21,22)
InChIKeyXWSRHDDFPFWKFV-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.14
Rot. Bonds5

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

2-[2-(ethylamino)benzimidazol-1-yl]-2-phenylacetic acid (PubChem CID 82359608) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-[2-(ethylamino)benzimidazol-1-yl]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[2-(ethylamino)benzimidazol-1-yl]-2-phenylacetic acid
PubChem CID82359608
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name2-[2-(ethylamino)benzimidazol-1-yl]-2-phenylacetic acid
SMILESCCNc1nc2ccccc2n1C(C(=O)O)c1ccccc1
InChIInChI=1S/C17H17N3O2/c1-2-18-17-19-13-10-6-7-11-14(13)20(17)15(16(21)22)12-8-4-3-5-9-12/h3-11,15H,2H2,1H3,(H,18,19)(H,21,22)
InChIKeyXWSRHDDFPFWKFV-UHFFFAOYSA-N
XLogP3.14
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[2-(ethylamino)benzimidazol-1-yl]propanoate
CID 82359524
butan-2-yl 2-[2-(ethylamino)benzimidazol-1-yl]propanoate
CID 82359536
2-[2-(ethylamino)benzimidazol-1-yl]-2-methylpropanoic acid
CID 82359602
4-[2-(ethylamino)benzimidazol-1-yl]butan-2-one
CID 82359609
2-N-ethylbenzimidazole-1,2-diamine
CID 45078021
2-[(1-methylbenzimidazol-2-yl)amino]propanoic acid
CID 83836910
(2S)-2-(2-propylbenzimidazol-1-yl)propanoic acid
CID 7424145
2-(2-methylbenzimidazol-1-yl)propanoic acid
CID 5236849
N-[[1-(1-phenylethyl)benzimidazol-2-yl]methyl]prop-2-enamide
CID 16972212
N-cyclopentyl-2-[2-(ethylamino)benzimidazol-1-yl]acetamide
CID 82359517
N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide
CID 751074
N-ethyl-1-(methoxymethyl)benzimidazol-2-amine
CID 82359568

Frequently Asked Questions

What is the IUPAC name of 2-[2-(ethylamino)benzimidazol-1-yl]-2-phenylacetic acid?
The IUPAC name of 2-[2-(ethylamino)benzimidazol-1-yl]-2-phenylacetic acid (CID 82359608) is 2-[2-(ethylamino)benzimidazol-1-yl]-2-phenylacetic acid.
What is the SMILES notation for 2-[2-(ethylamino)benzimidazol-1-yl]-2-phenylacetic acid?
The canonical SMILES for 2-[2-(ethylamino)benzimidazol-1-yl]-2-phenylacetic acid is CCNc1nc2ccccc2n1C(C(=O)O)c1ccccc1.
What is the InChIKey of 2-[2-(ethylamino)benzimidazol-1-yl]-2-phenylacetic acid?
The InChIKey is XWSRHDDFPFWKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-2-18-17-19-13-10-6-7-11-14(13)20(17)15(16(21)22)12-8-4-3-5-9-12/h3-11,15H,2H2,1H3,(H,18,19)(H,21,22).
What are the key properties of 2-[2-(ethylamino)benzimidazol-1-yl]-2-phenylacetic acid?
2-[2-(ethylamino)benzimidazol-1-yl]-2-phenylacetic acid has a molecular weight of 295.34 g/mol, XLogP of 3.14, 5 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-phenylacetic acid is sourced from PubChem (CID 82359608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).