2-ethoxy-N-[2-[2-(2-methylbenzimidazol-1-yl)ethylamino]-2-oxoethyl]benzamide

C21H24N4O3 — CID 24554267

IUPAC2-ethoxy-N-[2-[2-(2-methylbenzimidazol-1-yl)ethylamino]-2-oxoethyl]benzamide
SMILESCCOc1ccccc1C(=O)NCC(=O)NCCn1c(C)nc2ccccc21
InChIInChI=1S/C21H24N4O3/c1-3-28-19-11-7-4-8-16(19)21(27)23-14-20(26)22-12-13-25-15(2)24-17-9-5-6-10-18(17)25/h4-11H,3,12-14H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyUJYFZRYVZWXCEH-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.29
Rot. Bonds8

About 2-ethoxy-N-[2-[2-(2-methylbenzimidazol-1-yl)ethylamino]-2-oxoethyl]benzamide

2-ethoxy-N-[2-[2-(2-methylbenzimidazol-1-yl)ethylamino]-2-oxoethyl]benzamide (PubChem CID 24554267) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 2-ethoxy-N-[2-[2-(2-methylbenzimidazol-1-yl)ethylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[2-[2-(2-methylbenzimidazol-1-yl)ethylamino]-2-oxoethyl]benzamide
PubChem CID24554267
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name2-ethoxy-N-[2-[2-(2-methylbenzimidazol-1-yl)ethylamino]-2-oxoethyl]benzamide
SMILESCCOc1ccccc1C(=O)NCC(=O)NCCn1c(C)nc2ccccc21
InChIInChI=1S/C21H24N4O3/c1-3-28-19-11-7-4-8-16(19)21(27)23-14-20(26)22-12-13-25-15(2)24-17-9-5-6-10-18(17)25/h4-11H,3,12-14H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyUJYFZRYVZWXCEH-UHFFFAOYSA-N
XLogP2.29
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-N-[2-[2-(2-methylbenzimidazol-1-yl)ethylamino]-2-oxoethyl]benzamide
CID 17395811
2-(cyclopropylmethylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
CID 61273474
N-[3-[2-(2-methylbenzimidazol-1-yl)ethylamino]-3-oxopropyl]benzamide
CID 26444000
ethyl 3-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoylamino]propanoate
CID 46287068
2-(4-methoxyphenyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
CID 40716430
2-(methylamino)-N-[3-(2-methylbenzimidazol-1-yl)propyl]acetamide;hydrochloride
CID 120703538
N-[2-[2-(2-methylbenzimidazol-1-yl)ethylamino]-2-oxoethyl]-3-nitrobenzamide
CID 24554264
N-[2-[2-[(2-chlorobenzoyl)amino]ethylamino]-2-oxoethyl]-2-ethoxybenzamide
CID 46461439
N-[2-[2-(2-methylbenzimidazol-1-yl)ethylamino]-2-oxoethyl]cyclohexanecarboxamide
CID 24554300
tert-butyl N-[3-[2-(2-methylbenzimidazol-1-yl)ethylamino]-3-oxopropyl]carbamate
CID 40716757
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-phenoxybutanamide
CID 40716506
3-chloro-4-ethoxy-5-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide
CID 26444068

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[2-[2-(2-methylbenzimidazol-1-yl)ethylamino]-2-oxoethyl]benzamide?
The IUPAC name of 2-ethoxy-N-[2-[2-(2-methylbenzimidazol-1-yl)ethylamino]-2-oxoethyl]benzamide (CID 24554267) is 2-ethoxy-N-[2-[2-(2-methylbenzimidazol-1-yl)ethylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[2-[2-(2-methylbenzimidazol-1-yl)ethylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[2-[2-(2-methylbenzimidazol-1-yl)ethylamino]-2-oxoethyl]benzamide is CCOc1ccccc1C(=O)NCC(=O)NCCn1c(C)nc2ccccc21.
What is the InChIKey of 2-ethoxy-N-[2-[2-(2-methylbenzimidazol-1-yl)ethylamino]-2-oxoethyl]benzamide?
The InChIKey is UJYFZRYVZWXCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-3-28-19-11-7-4-8-16(19)21(27)23-14-20(26)22-12-13-25-15(2)24-17-9-5-6-10-18(17)25/h4-11H,3,12-14H2,1-2H3,(H,22,26)(H,23,27).
What are the key properties of 2-ethoxy-N-[2-[2-(2-methylbenzimidazol-1-yl)ethylamino]-2-oxoethyl]benzamide?
2-ethoxy-N-[2-[2-(2-methylbenzimidazol-1-yl)ethylamino]-2-oxoethyl]benzamide has a molecular weight of 380.45 g/mol, XLogP of 2.29, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[2-[2-(2-methylbenzimidazol-1-yl)ethylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 24554267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).