2-[ethyl-[3-(1-phenylbenzimidazol-2-yl)propanoyl]amino]acetic acid

C20H21N3O3 — CID 119206156

IUPAC2-[ethyl-[3-(1-phenylbenzimidazol-2-yl)propanoyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)CCc1nc2ccccc2n1-c1ccccc1
InChIInChI=1S/C20H21N3O3/c1-2-22(14-20(25)26)19(24)13-12-18-21-16-10-6-7-11-17(16)23(18)15-8-4-3-5-9-15/h3-11H,2,12-14H2,1H3,(H,25,26)
InChIKeyLIPYDABMJRCBHR-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.89
Rot. Bonds7

About 2-[ethyl-[3-(1-phenylbenzimidazol-2-yl)propanoyl]amino]acetic acid

2-[ethyl-[3-(1-phenylbenzimidazol-2-yl)propanoyl]amino]acetic acid (PubChem CID 119206156) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-[ethyl-[3-(1-phenylbenzimidazol-2-yl)propanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[3-(1-phenylbenzimidazol-2-yl)propanoyl]amino]acetic acid
PubChem CID119206156
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name2-[ethyl-[3-(1-phenylbenzimidazol-2-yl)propanoyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)CCc1nc2ccccc2n1-c1ccccc1
InChIInChI=1S/C20H21N3O3/c1-2-22(14-20(25)26)19(24)13-12-18-21-16-10-6-7-11-17(16)23(18)15-8-4-3-5-9-15/h3-11H,2,12-14H2,1H3,(H,25,26)
InChIKeyLIPYDABMJRCBHR-UHFFFAOYSA-N
XLogP2.89
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-hydroxypropan-2-yl)-N-methyl-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 109388365
6-(1-phenylbenzimidazol-2-yl)hexanoic acid
CID 18979139
2-(1-phenylbenzimidazol-2-yl)acetic acid
CID 61271443
3-[3-(1-phenylbenzimidazol-2-yl)propanoylamino]butanoic acid
CID 119221124
2-[3-(benzimidazol-1-yl)propanoyl-ethylamino]acetic acid
CID 61022250
N-[2-(ethylamino)ethyl]-3-(1-phenylbenzimidazol-2-yl)propanamide;hydrochloride
CID 119504582
N-(3-aminobutyl)-3-(1-phenylbenzimidazol-2-yl)propanamide;hydrochloride
CID 119494794
N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 56534481
1-phenyl-2-tridecylbenzimidazole
CID 24821367
N-(2,5-dimethylphenyl)-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 52894225
N-(3-hydroxypropyl)-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 78796237
1-[(2R)-2-ethylpiperidin-1-yl]-3-(1-phenylbenzimidazol-2-yl)propan-1-one
CID 52894444

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[3-(1-phenylbenzimidazol-2-yl)propanoyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[3-(1-phenylbenzimidazol-2-yl)propanoyl]amino]acetic acid (CID 119206156) is 2-[ethyl-[3-(1-phenylbenzimidazol-2-yl)propanoyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[3-(1-phenylbenzimidazol-2-yl)propanoyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[3-(1-phenylbenzimidazol-2-yl)propanoyl]amino]acetic acid is CCN(CC(=O)O)C(=O)CCc1nc2ccccc2n1-c1ccccc1.
What is the InChIKey of 2-[ethyl-[3-(1-phenylbenzimidazol-2-yl)propanoyl]amino]acetic acid?
The InChIKey is LIPYDABMJRCBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-2-22(14-20(25)26)19(24)13-12-18-21-16-10-6-7-11-17(16)23(18)15-8-4-3-5-9-15/h3-11H,2,12-14H2,1H3,(H,25,26).
What are the key properties of 2-[ethyl-[3-(1-phenylbenzimidazol-2-yl)propanoyl]amino]acetic acid?
2-[ethyl-[3-(1-phenylbenzimidazol-2-yl)propanoyl]amino]acetic acid has a molecular weight of 351.41 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[3-(1-phenylbenzimidazol-2-yl)propanoyl]amino]acetic acid is sourced from PubChem (CID 119206156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).