2-amino-N-[[1-(2-ethoxyethyl)-6-phenoxybenzimidazol-2-yl]methyl]acetamide

C20H24N4O3 — CID 67427274

IUPAC2-amino-N-[[1-(2-ethoxyethyl)-6-phenoxybenzimidazol-2-yl]methyl]acetamide
SMILESCCOCCn1c(CNC(=O)CN)nc2ccc(Oc3ccccc3)cc21
InChIInChI=1S/C20H24N4O3/c1-2-26-11-10-24-18-12-16(27-15-6-4-3-5-7-15)8-9-17(18)23-19(24)14-22-20(25)13-21/h3-9,12H,2,10-11,13-14,21H2,1H3,(H,22,25)
InChIKeyLGWKRPGMCFHGLN-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.44
Rot. Bonds9

About 2-amino-N-[[1-(2-ethoxyethyl)-6-phenoxybenzimidazol-2-yl]methyl]acetamide

2-amino-N-[[1-(2-ethoxyethyl)-6-phenoxybenzimidazol-2-yl]methyl]acetamide (PubChem CID 67427274) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 2-amino-N-[[1-(2-ethoxyethyl)-6-phenoxybenzimidazol-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[[1-(2-ethoxyethyl)-6-phenoxybenzimidazol-2-yl]methyl]acetamide
PubChem CID67427274
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name2-amino-N-[[1-(2-ethoxyethyl)-6-phenoxybenzimidazol-2-yl]methyl]acetamide
SMILESCCOCCn1c(CNC(=O)CN)nc2ccc(Oc3ccccc3)cc21
InChIInChI=1S/C20H24N4O3/c1-2-26-11-10-24-18-12-16(27-15-6-4-3-5-7-15)8-9-17(18)23-19(24)14-22-20(25)13-21/h3-9,12H,2,10-11,13-14,21H2,1H3,(H,22,25)
InChIKeyLGWKRPGMCFHGLN-UHFFFAOYSA-N
XLogP2.44
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[[1-(2-ethoxyethyl)-6-phenoxybenzimidazol-2-yl]methylamino]propanamide
CID 67427219
N-[[1-(2-ethoxyethyl)-6-(4-fluorophenoxy)benzimidazol-2-yl]methyl]propan-1-amine
CID 159571131
(2S)-2-amino-N-[[6-(2-chloro-4-fluorophenoxy)-1-(2-ethoxyethyl)benzimidazol-2-yl]methyl]propanamide
CID 67426940
N-[[1-(2-ethoxyethyl)benzimidazol-2-yl]methyl]-4-methylbenzamide
CID 17007225
N-[[1-(2-ethoxyethyl)benzimidazol-2-yl]methyl]pyridine-4-carboxamide
CID 16965654
N-[[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]propanamide
CID 17006087
N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]acetamide
CID 17005925
(2S)-2-[[6-(4-fluorophenoxy)-1-(2-methoxyethyl)benzimidazol-2-yl]methylamino]propanamide
CID 58532117
1-(2-ethoxyethyl)-2-(phenoxymethyl)benzimidazole
CID 3326466
N-[2-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethyl]propanamide
CID 16974362
1-(2-ethoxyethyl)-2-(phenoxymethyl)benzimidazole-5-carboxylic acid
CID 46309221
N-[(1-hexadecylbenzimidazol-2-yl)methyl]-2-phenoxyacetamide
CID 16970928

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[1-(2-ethoxyethyl)-6-phenoxybenzimidazol-2-yl]methyl]acetamide?
The IUPAC name of 2-amino-N-[[1-(2-ethoxyethyl)-6-phenoxybenzimidazol-2-yl]methyl]acetamide (CID 67427274) is 2-amino-N-[[1-(2-ethoxyethyl)-6-phenoxybenzimidazol-2-yl]methyl]acetamide.
What is the SMILES notation for 2-amino-N-[[1-(2-ethoxyethyl)-6-phenoxybenzimidazol-2-yl]methyl]acetamide?
The canonical SMILES for 2-amino-N-[[1-(2-ethoxyethyl)-6-phenoxybenzimidazol-2-yl]methyl]acetamide is CCOCCn1c(CNC(=O)CN)nc2ccc(Oc3ccccc3)cc21.
What is the InChIKey of 2-amino-N-[[1-(2-ethoxyethyl)-6-phenoxybenzimidazol-2-yl]methyl]acetamide?
The InChIKey is LGWKRPGMCFHGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-2-26-11-10-24-18-12-16(27-15-6-4-3-5-7-15)8-9-17(18)23-19(24)14-22-20(25)13-21/h3-9,12H,2,10-11,13-14,21H2,1H3,(H,22,25).
What are the key properties of 2-amino-N-[[1-(2-ethoxyethyl)-6-phenoxybenzimidazol-2-yl]methyl]acetamide?
2-amino-N-[[1-(2-ethoxyethyl)-6-phenoxybenzimidazol-2-yl]methyl]acetamide has a molecular weight of 368.44 g/mol, XLogP of 2.44, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[1-(2-ethoxyethyl)-6-phenoxybenzimidazol-2-yl]methyl]acetamide is sourced from PubChem (CID 67427274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).