N-(4-ethoxyphenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide

C18H19N3O3 — CID 78767015

IUPACN-(4-ethoxyphenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide
SMILESCCOc1ccc(NC(=O)Cn2c(CO)nc3ccccc32)cc1
InChIInChI=1S/C18H19N3O3/c1-2-24-14-9-7-13(8-10-14)19-18(23)11-21-16-6-4-3-5-15(16)20-17(21)12-22/h3-10,22H,2,11-12H2,1H3,(H,19,23)
InChIKeyPOXQZTDXJUHHAK-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.57
Rot. Bonds6

About N-(4-ethoxyphenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide

N-(4-ethoxyphenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide (PubChem CID 78767015) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide
PubChem CID78767015
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC NameN-(4-ethoxyphenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide
SMILESCCOc1ccc(NC(=O)Cn2c(CO)nc3ccccc32)cc1
InChIInChI=1S/C18H19N3O3/c1-2-24-14-9-7-13(8-10-14)19-18(23)11-21-16-6-4-3-5-15(16)20-17(21)12-22/h3-10,22H,2,11-12H2,1H3,(H,19,23)
InChIKeyPOXQZTDXJUHHAK-UHFFFAOYSA-N
XLogP2.57
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethoxyphenyl)-2-(2-ethylbenzimidazol-1-yl)acetamide
CID 3460449
N-(4-ethoxyphenyl)-2-[2-(2-phenylethyl)benzimidazol-1-yl]acetamide
CID 17031709
2-[2-(hydroxymethyl)benzimidazol-1-yl]-N-(4-phenylmethoxyphenyl)acetamide
CID 99139728
N-(4-ethoxyphenyl)-2-[2-[(2-methylphenyl)methyl]benzimidazol-1-yl]acetamide
CID 17032408
N-(4-ethoxyphenyl)-2-[2-[[(2-methoxyacetyl)amino]methyl]benzimidazol-1-yl]acetamide
CID 17029032
N-(4-tert-butylphenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide
CID 4566508
N-(4-ethoxyphenyl)-2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]acetamide
CID 17031751
2-(2-ethylbenzimidazol-1-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 46674253
N-[3-[1-[2-(4-ethoxyanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methylbenzamide
CID 17031611
N-[[1-[2-(4-ethoxyanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide
CID 17029228
N-[4-(diethylsulfamoyl)phenyl]-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide
CID 4843555
3-[4-[2-(4-ethoxyanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-methylpropanamide
CID 53129317

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide (CID 78767015) is N-(4-ethoxyphenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide is CCOc1ccc(NC(=O)Cn2c(CO)nc3ccccc32)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide?
The InChIKey is POXQZTDXJUHHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-2-24-14-9-7-13(8-10-14)19-18(23)11-21-16-6-4-3-5-15(16)20-17(21)12-22/h3-10,22H,2,11-12H2,1H3,(H,19,23).
What are the key properties of N-(4-ethoxyphenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide?
N-(4-ethoxyphenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide has a molecular weight of 325.37 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 78767015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).