N-[3-[1-[2-(4-ethoxyanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methylbenzamide

C28H30N4O3 — CID 17031611

IUPACN-[3-[1-[2-(4-ethoxyanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methylbenzamide
SMILESCCOc1ccc(NC(=O)Cn2c(CCCNC(=O)c3ccc(C)cc3)nc3ccccc32)cc1
InChIInChI=1S/C28H30N4O3/c1-3-35-23-16-14-22(15-17-23)30-27(33)19-32-25-8-5-4-7-24(25)31-26(32)9-6-18-29-28(34)21-12-10-20(2)11-13-21/h4-5,7-8,10-17H,3,6,9,18-19H2,1-2H3,(H,29,34)(H,30,33)
InChIKeyBNBOHMMLPKFPDY-UHFFFAOYSA-N
MW470.57 g/mol
LogP4.74
Rot. Bonds10

About N-[3-[1-[2-(4-ethoxyanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methylbenzamide

N-[3-[1-[2-(4-ethoxyanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methylbenzamide (PubChem CID 17031611) has the molecular formula C28H30N4O3 and a molecular weight of 470.57 g/mol. Its IUPAC name is N-[3-[1-[2-(4-ethoxyanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[3-[1-[2-(4-ethoxyanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methylbenzamide
PubChem CID17031611
Molecular FormulaC28H30N4O3
Molecular Weight470.57 g/mol
Exact Mass470.23
IUPAC NameN-[3-[1-[2-(4-ethoxyanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methylbenzamide
SMILESCCOc1ccc(NC(=O)Cn2c(CCCNC(=O)c3ccc(C)cc3)nc3ccccc32)cc1
InChIInChI=1S/C28H30N4O3/c1-3-35-23-16-14-22(15-17-23)30-27(33)19-32-25-8-5-4-7-24(25)31-26(32)9-6-18-29-28(34)21-12-10-20(2)11-13-21/h4-5,7-8,10-17H,3,6,9,18-19H2,1-2H3,(H,29,34)(H,30,33)
InChIKeyBNBOHMMLPKFPDY-UHFFFAOYSA-N
XLogP4.74
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[1-[2-(butylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methylbenzamide
CID 17031580
N-[3-[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methylbenzamide
CID 17031599
N-(4-ethoxyphenyl)-2-(2-ethylbenzimidazol-1-yl)acetamide
CID 3460449
N-(4-ethoxyphenyl)-2-[2-(2-phenylethyl)benzimidazol-1-yl]acetamide
CID 17031709
N-(4-ethoxyphenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide
CID 78767015
N-[3-[1-[2-(4-bromoanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]-4-chlorobenzamide
CID 17031656
N-[3-[1-[2-(4-methoxyanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]butanamide
CID 17031119
2-[2-[3-[(2-methoxyacetyl)amino]propyl]benzimidazol-1-yl]-N-(4-methoxyphenyl)acetamide
CID 17031168
N-[3-[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methylbenzamide
CID 16984403
N-(4-ethoxyphenyl)-2-[2-[[(2-methoxyacetyl)amino]methyl]benzimidazol-1-yl]acetamide
CID 17029032
4-methyl-N-[2-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 16976598
4-methyl-N-[3-(1-nonylbenzimidazol-2-yl)propyl]benzamide
CID 16984261

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[2-(4-ethoxyanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methylbenzamide?
The IUPAC name of N-[3-[1-[2-(4-ethoxyanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methylbenzamide (CID 17031611) is N-[3-[1-[2-(4-ethoxyanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methylbenzamide.
What is the SMILES notation for N-[3-[1-[2-(4-ethoxyanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methylbenzamide?
The canonical SMILES for N-[3-[1-[2-(4-ethoxyanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methylbenzamide is CCOc1ccc(NC(=O)Cn2c(CCCNC(=O)c3ccc(C)cc3)nc3ccccc32)cc1.
What is the InChIKey of N-[3-[1-[2-(4-ethoxyanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methylbenzamide?
The InChIKey is BNBOHMMLPKFPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O3/c1-3-35-23-16-14-22(15-17-23)30-27(33)19-32-25-8-5-4-7-24(25)31-26(32)9-6-18-29-28(34)21-12-10-20(2)11-13-21/h4-5,7-8,10-17H,3,6,9,18-19H2,1-2H3,(H,29,34)(H,30,33).
What are the key properties of N-[3-[1-[2-(4-ethoxyanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methylbenzamide?
N-[3-[1-[2-(4-ethoxyanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methylbenzamide has a molecular weight of 470.57 g/mol, XLogP of 4.74, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[2-(4-ethoxyanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methylbenzamide is sourced from PubChem (CID 17031611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).