ethyl 2-[2-[2-[(2-methylbenzoyl)amino]ethyl]benzimidazol-1-yl]acetate

C21H23N3O3 — CID 16976016

IUPACethyl 2-[2-[2-[(2-methylbenzoyl)amino]ethyl]benzimidazol-1-yl]acetate
SMILESCCOC(=O)Cn1c(CCNC(=O)c2ccccc2C)nc2ccccc21
InChIInChI=1S/C21H23N3O3/c1-3-27-20(25)14-24-18-11-7-6-10-17(18)23-19(24)12-13-22-21(26)16-9-5-4-8-15(16)2/h4-11H,3,12-14H2,1-2H3,(H,22,26)
InChIKeyIQQNYVPSPVOCHE-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.88
Rot. Bonds7

About ethyl 2-[2-[2-[(2-methylbenzoyl)amino]ethyl]benzimidazol-1-yl]acetate

ethyl 2-[2-[2-[(2-methylbenzoyl)amino]ethyl]benzimidazol-1-yl]acetate (PubChem CID 16976016) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is ethyl 2-[2-[2-[(2-methylbenzoyl)amino]ethyl]benzimidazol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[2-[(2-methylbenzoyl)amino]ethyl]benzimidazol-1-yl]acetate
PubChem CID16976016
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Nameethyl 2-[2-[2-[(2-methylbenzoyl)amino]ethyl]benzimidazol-1-yl]acetate
SMILESCCOC(=O)Cn1c(CCNC(=O)c2ccccc2C)nc2ccccc21
InChIInChI=1S/C21H23N3O3/c1-3-27-20(25)14-24-18-11-7-6-10-17(18)23-19(24)12-13-22-21(26)16-9-5-4-8-15(16)2/h4-11H,3,12-14H2,1-2H3,(H,22,26)
InChIKeyIQQNYVPSPVOCHE-UHFFFAOYSA-N
XLogP2.88
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[2-[[(2-methylbenzoyl)amino]methyl]benzimidazol-1-yl]acetate
CID 17006923
N-[2-[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 16976021
ethyl 2-[2-[2-(pyridine-3-carbonylamino)ethyl]benzimidazol-1-yl]acetate
CID 16964380
propan-2-yl 2-[2-[3-[(2-methylbenzoyl)amino]propyl]benzimidazol-1-yl]acetate
CID 16982493
N-[3-[1-[2-(diethylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-methylbenzamide
CID 16982471
N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-methylbenzamide
CID 16982340
2-methyl-N-[2-[1-[2-oxo-2-(prop-2-enylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17030738
N-[3-[1-[2-(3-ethoxypropylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-methylbenzamide
CID 17031444
methyl 2-[2-[2-[(2-methoxybenzoyl)amino]ethyl]benzimidazol-1-yl]acetate
CID 16976330
N-[2-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 16975902
N-[2-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 16975906
N-[2-[1-[2-(4-bromoanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 17030725

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[2-[(2-methylbenzoyl)amino]ethyl]benzimidazol-1-yl]acetate?
The IUPAC name of ethyl 2-[2-[2-[(2-methylbenzoyl)amino]ethyl]benzimidazol-1-yl]acetate (CID 16976016) is ethyl 2-[2-[2-[(2-methylbenzoyl)amino]ethyl]benzimidazol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[2-[(2-methylbenzoyl)amino]ethyl]benzimidazol-1-yl]acetate?
The canonical SMILES for ethyl 2-[2-[2-[(2-methylbenzoyl)amino]ethyl]benzimidazol-1-yl]acetate is CCOC(=O)Cn1c(CCNC(=O)c2ccccc2C)nc2ccccc21.
What is the InChIKey of ethyl 2-[2-[2-[(2-methylbenzoyl)amino]ethyl]benzimidazol-1-yl]acetate?
The InChIKey is IQQNYVPSPVOCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-3-27-20(25)14-24-18-11-7-6-10-17(18)23-19(24)12-13-22-21(26)16-9-5-4-8-15(16)2/h4-11H,3,12-14H2,1-2H3,(H,22,26).
What are the key properties of ethyl 2-[2-[2-[(2-methylbenzoyl)amino]ethyl]benzimidazol-1-yl]acetate?
ethyl 2-[2-[2-[(2-methylbenzoyl)amino]ethyl]benzimidazol-1-yl]acetate has a molecular weight of 365.43 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[2-[(2-methylbenzoyl)amino]ethyl]benzimidazol-1-yl]acetate is sourced from PubChem (CID 16976016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).