2-[2-[(4-ethoxyphenoxy)methyl]benzimidazol-1-yl]-N,N-diethylethanamine;hydrochloride

C22H30ClN3O2 — CID 3027324

IUPAC2-[2-[(4-ethoxyphenoxy)methyl]benzimidazol-1-yl]-N,N-diethylethanamine;hydrochloride
SMILESCCOc1ccc(OCc2nc3ccccc3n2CCN(CC)CC)cc1.Cl
InChIInChI=1S/C22H29N3O2.ClH/c1-4-24(5-2)15-16-25-21-10-8-7-9-20(21)23-22(25)17-27-19-13-11-18(12-14-19)26-6-3;/h7-14H,4-6,15-17H2,1-3H3;1H
InChIKeyLWKDETOYABHXML-UHFFFAOYSA-N
MW403.95 g/mol
LogP4.78
Rot. Bonds10

About 2-[2-[(4-ethoxyphenoxy)methyl]benzimidazol-1-yl]-N,N-diethylethanamine;hydrochloride

2-[2-[(4-ethoxyphenoxy)methyl]benzimidazol-1-yl]-N,N-diethylethanamine;hydrochloride (PubChem CID 3027324) has the molecular formula C22H30ClN3O2 and a molecular weight of 403.95 g/mol. Its IUPAC name is 2-[2-[(4-ethoxyphenoxy)methyl]benzimidazol-1-yl]-N,N-diethylethanamine;hydrochloride.

Molecular Properties

Compound Name2-[2-[(4-ethoxyphenoxy)methyl]benzimidazol-1-yl]-N,N-diethylethanamine;hydrochloride
PubChem CID3027324
Molecular FormulaC22H30ClN3O2
Molecular Weight403.95 g/mol
Exact Mass403.20
IUPAC Name2-[2-[(4-ethoxyphenoxy)methyl]benzimidazol-1-yl]-N,N-diethylethanamine;hydrochloride
SMILESCCOc1ccc(OCc2nc3ccccc3n2CCN(CC)CC)cc1.Cl
InChIInChI=1S/C22H29N3O2.ClH/c1-4-24(5-2)15-16-25-21-10-8-7-9-20(21)23-22(25)17-27-19-13-11-18(12-14-19)26-6-3;/h7-14H,4-6,15-17H2,1-3H3;1H
InChIKeyLWKDETOYABHXML-UHFFFAOYSA-N
XLogP4.78
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.95
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-ethoxyethyl)-2-(phenoxymethyl)benzimidazole
CID 3326466
1-butyl-2-[(4-ethylphenoxy)methyl]benzimidazole
CID 16998302
1-(2-phenoxyethyl)-2-(phenoxymethyl)benzimidazole
CID 709525
1-decyl-2-[(4-ethylphenoxy)methyl]benzimidazole
CID 16998310
2-[[4-(chloromethyl)phenoxy]methyl]-1-(2-ethoxyethyl)benzimidazole
CID 70113912
2-[2-[(4-ethoxyphenyl)methyl]-5-nitrobenzimidazol-1-yl]-N,N-diethylethanamine;hydrochloride
CID 11953608
2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-[2-(diethylamino)ethyl]acetamide
CID 112759773
N,N-diethyl-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]ethanamine
CID 21391
2-[2-(phenoxymethyl)benzimidazol-1-yl]ethanamine
CID 28752967
1-[2-(4-ethylphenoxy)ethyl]-2-[(4-methoxyphenoxy)methyl]benzimidazole
CID 16998482
1-[2-(diethylamino)ethyl]benzimidazol-2-amine
CID 559474
1-[3-(4-methylphenoxy)propyl]-2-(phenoxymethyl)benzimidazole
CID 5201852

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-ethoxyphenoxy)methyl]benzimidazol-1-yl]-N,N-diethylethanamine;hydrochloride?
The IUPAC name of 2-[2-[(4-ethoxyphenoxy)methyl]benzimidazol-1-yl]-N,N-diethylethanamine;hydrochloride (CID 3027324) is 2-[2-[(4-ethoxyphenoxy)methyl]benzimidazol-1-yl]-N,N-diethylethanamine;hydrochloride.
What is the SMILES notation for 2-[2-[(4-ethoxyphenoxy)methyl]benzimidazol-1-yl]-N,N-diethylethanamine;hydrochloride?
The canonical SMILES for 2-[2-[(4-ethoxyphenoxy)methyl]benzimidazol-1-yl]-N,N-diethylethanamine;hydrochloride is CCOc1ccc(OCc2nc3ccccc3n2CCN(CC)CC)cc1.Cl.
What is the InChIKey of 2-[2-[(4-ethoxyphenoxy)methyl]benzimidazol-1-yl]-N,N-diethylethanamine;hydrochloride?
The InChIKey is LWKDETOYABHXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2.ClH/c1-4-24(5-2)15-16-25-21-10-8-7-9-20(21)23-22(25)17-27-19-13-11-18(12-14-19)26-6-3;/h7-14H,4-6,15-17H2,1-3H3;1H.
What are the key properties of 2-[2-[(4-ethoxyphenoxy)methyl]benzimidazol-1-yl]-N,N-diethylethanamine;hydrochloride?
2-[2-[(4-ethoxyphenoxy)methyl]benzimidazol-1-yl]-N,N-diethylethanamine;hydrochloride has a molecular weight of 403.95 g/mol, XLogP of 4.78, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-ethoxyphenoxy)methyl]benzimidazol-1-yl]-N,N-diethylethanamine;hydrochloride is sourced from PubChem (CID 3027324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).