2-[2-ethoxy-4-[(1-ethylbenzimidazol-2-yl)carbamoyl]phenoxy]acetic acid

C20H21N3O5 — CID 119179389

IUPAC2-[2-ethoxy-4-[(1-ethylbenzimidazol-2-yl)carbamoyl]phenoxy]acetic acid
SMILESCCOc1cc(C(=O)Nc2nc3ccccc3n2CC)ccc1OCC(=O)O
InChIInChI=1S/C20H21N3O5/c1-3-23-15-8-6-5-7-14(15)21-20(23)22-19(26)13-9-10-16(28-12-18(24)25)17(11-13)27-4-2/h5-11H,3-4,12H2,1-2H3,(H,24,25)(H,21,22,26)
InChIKeyXBERNXYMLOOUMP-UHFFFAOYSA-N
MW383.40 g/mol
LogP3.17
Rot. Bonds8

About 2-[2-ethoxy-4-[(1-ethylbenzimidazol-2-yl)carbamoyl]phenoxy]acetic acid

2-[2-ethoxy-4-[(1-ethylbenzimidazol-2-yl)carbamoyl]phenoxy]acetic acid (PubChem CID 119179389) has the molecular formula C20H21N3O5 and a molecular weight of 383.40 g/mol. Its IUPAC name is 2-[2-ethoxy-4-[(1-ethylbenzimidazol-2-yl)carbamoyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-ethoxy-4-[(1-ethylbenzimidazol-2-yl)carbamoyl]phenoxy]acetic acid
PubChem CID119179389
Molecular FormulaC20H21N3O5
Molecular Weight383.40 g/mol
Exact Mass383.15
IUPAC Name2-[2-ethoxy-4-[(1-ethylbenzimidazol-2-yl)carbamoyl]phenoxy]acetic acid
SMILESCCOc1cc(C(=O)Nc2nc3ccccc3n2CC)ccc1OCC(=O)O
InChIInChI=1S/C20H21N3O5/c1-3-23-15-8-6-5-7-14(15)21-20(23)22-19(26)13-9-10-16(28-12-18(24)25)17(11-13)27-4-2/h5-11H,3-4,12H2,1-2H3,(H,24,25)(H,21,22,26)
InChIKeyXBERNXYMLOOUMP-UHFFFAOYSA-N
XLogP3.17
TPSA102.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-ethylbenzimidazol-2-yl)-3,4,5-trimethoxybenzamide
CID 17417130
3-ethoxy-N-(1-propylbenzimidazol-2-yl)-4-(pyridin-3-ylmethoxy)benzamide
CID 39108258
4-cyano-N-(1-ethylbenzimidazol-2-yl)benzamide
CID 27148276
3,4-diethoxy-N-[5-(1-ethyl-3-methylindol-2-yl)-1H-pyrazol-3-yl]benzamide
CID 53196058
5-chloro-N-(1-ethylbenzimidazol-2-yl)-2-methoxybenzamide
CID 27898030
2-[2-ethoxy-4-[(2-propan-2-yloxyphenyl)carbamoyl]phenoxy]acetic acid
CID 119180523
N-(1-ethylbenzimidazol-2-yl)-2-methoxypyridine-3-carboxamide
CID 43053714
2-[2-ethoxy-4-(propan-2-ylcarbamoyl)phenoxy]acetic acid
CID 119179061
N'-(3,4-diethoxybenzoyl)-1-ethyl-2-methylbenzimidazole-5-carbohydrazide
CID 26536321
N-(benzimidazol-1-yl)-3,4-diethoxybenzamide
CID 24535717
N-(1-ethylbenzimidazol-2-yl)-2-iodobenzamide
CID 27897993
N-(1-ethylbenzimidazol-2-yl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 46692785

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxy-4-[(1-ethylbenzimidazol-2-yl)carbamoyl]phenoxy]acetic acid?
The IUPAC name of 2-[2-ethoxy-4-[(1-ethylbenzimidazol-2-yl)carbamoyl]phenoxy]acetic acid (CID 119179389) is 2-[2-ethoxy-4-[(1-ethylbenzimidazol-2-yl)carbamoyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-ethoxy-4-[(1-ethylbenzimidazol-2-yl)carbamoyl]phenoxy]acetic acid?
The canonical SMILES for 2-[2-ethoxy-4-[(1-ethylbenzimidazol-2-yl)carbamoyl]phenoxy]acetic acid is CCOc1cc(C(=O)Nc2nc3ccccc3n2CC)ccc1OCC(=O)O.
What is the InChIKey of 2-[2-ethoxy-4-[(1-ethylbenzimidazol-2-yl)carbamoyl]phenoxy]acetic acid?
The InChIKey is XBERNXYMLOOUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5/c1-3-23-15-8-6-5-7-14(15)21-20(23)22-19(26)13-9-10-16(28-12-18(24)25)17(11-13)27-4-2/h5-11H,3-4,12H2,1-2H3,(H,24,25)(H,21,22,26).
What are the key properties of 2-[2-ethoxy-4-[(1-ethylbenzimidazol-2-yl)carbamoyl]phenoxy]acetic acid?
2-[2-ethoxy-4-[(1-ethylbenzimidazol-2-yl)carbamoyl]phenoxy]acetic acid has a molecular weight of 383.40 g/mol, XLogP of 3.17, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxy-4-[(1-ethylbenzimidazol-2-yl)carbamoyl]phenoxy]acetic acid is sourced from PubChem (CID 119179389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).