N-(1-ethylbenzimidazol-2-yl)-2-(4-methoxyphenoxy)acetamide

C18H19N3O3 — CID 6494094

IUPACN-(1-ethylbenzimidazol-2-yl)-2-(4-methoxyphenoxy)acetamide
SMILESCCn1c(NC(=O)COc2ccc(OC)cc2)nc2ccccc21
InChIInChI=1S/C18H19N3O3/c1-3-21-16-7-5-4-6-15(16)19-18(21)20-17(22)12-24-14-10-8-13(23-2)9-11-14/h4-11H,3,12H2,1-2H3,(H,19,20,22)
InChIKeyQIRLQKNLDHMPKO-UHFFFAOYSA-N
MW325.37 g/mol
LogP3.08
Rot. Bonds6

About N-(1-ethylbenzimidazol-2-yl)-2-(4-methoxyphenoxy)acetamide

N-(1-ethylbenzimidazol-2-yl)-2-(4-methoxyphenoxy)acetamide (PubChem CID 6494094) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-(1-ethylbenzimidazol-2-yl)-2-(4-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(1-ethylbenzimidazol-2-yl)-2-(4-methoxyphenoxy)acetamide
PubChem CID6494094
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC NameN-(1-ethylbenzimidazol-2-yl)-2-(4-methoxyphenoxy)acetamide
SMILESCCn1c(NC(=O)COc2ccc(OC)cc2)nc2ccccc21
InChIInChI=1S/C18H19N3O3/c1-3-21-16-7-5-4-6-15(16)19-18(21)20-17(22)12-24-14-10-8-13(23-2)9-11-14/h4-11H,3,12H2,1-2H3,(H,19,20,22)
InChIKeyQIRLQKNLDHMPKO-UHFFFAOYSA-N
XLogP3.08
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(1-ethylbenzimidazol-2-yl)acetamide;hydrochloride
CID 119265457
3-(4-ethoxyphenyl)-N-(1-ethylbenzimidazol-2-yl)propanamide
CID 60572664
diethyl-[2-[2-[(2-phenoxyacetyl)amino]benzimidazol-1-yl]ethyl]azanium
CID 7423926
1-(1-ethylbenzimidazol-2-yl)-3-(3-methoxyphenyl)urea
CID 35279970
4-amino-N-(1-ethylbenzimidazol-2-yl)-3-methoxybutanamide
CID 120586690
N-(1-ethylbenzimidazol-2-yl)-3,4,5-trimethoxybenzamide
CID 17417130
3-amino-N-(1-ethylbenzimidazol-2-yl)butanamide
CID 119678530
(1-ethylbenzimidazol-2-yl)carbamoyl acetate
CID 127259054
N-(1-ethylbenzimidazol-2-yl)-2-methoxypyridine-3-carboxamide
CID 43053714
7-amino-N-(1-ethylbenzimidazol-2-yl)heptanamide
CID 119678504
3-(4-methylphenoxy)-N-(1-propylbenzimidazol-2-yl)propanamide
CID 8914517
(3R)-N-(1-ethylbenzimidazol-2-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 35738491

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylbenzimidazol-2-yl)-2-(4-methoxyphenoxy)acetamide?
The IUPAC name of N-(1-ethylbenzimidazol-2-yl)-2-(4-methoxyphenoxy)acetamide (CID 6494094) is N-(1-ethylbenzimidazol-2-yl)-2-(4-methoxyphenoxy)acetamide.
What is the SMILES notation for N-(1-ethylbenzimidazol-2-yl)-2-(4-methoxyphenoxy)acetamide?
The canonical SMILES for N-(1-ethylbenzimidazol-2-yl)-2-(4-methoxyphenoxy)acetamide is CCn1c(NC(=O)COc2ccc(OC)cc2)nc2ccccc21.
What is the InChIKey of N-(1-ethylbenzimidazol-2-yl)-2-(4-methoxyphenoxy)acetamide?
The InChIKey is QIRLQKNLDHMPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-3-21-16-7-5-4-6-15(16)19-18(21)20-17(22)12-24-14-10-8-13(23-2)9-11-14/h4-11H,3,12H2,1-2H3,(H,19,20,22).
What are the key properties of N-(1-ethylbenzimidazol-2-yl)-2-(4-methoxyphenoxy)acetamide?
N-(1-ethylbenzimidazol-2-yl)-2-(4-methoxyphenoxy)acetamide has a molecular weight of 325.37 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylbenzimidazol-2-yl)-2-(4-methoxyphenoxy)acetamide is sourced from PubChem (CID 6494094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).