N-[3-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methoxybenzamide

C28H30N4O3 — CID 16984221

IUPACN-[3-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methoxybenzamide
SMILESCCN(C(=O)Cn1c(CCCNC(=O)c2ccc(OC)cc2)nc2ccccc21)c1ccccc1
InChIInChI=1S/C28H30N4O3/c1-3-31(22-10-5-4-6-11-22)27(33)20-32-25-13-8-7-12-24(25)30-26(32)14-9-19-29-28(34)21-15-17-23(35-2)18-16-21/h4-8,10-13,15-18H,3,9,14,19-20H2,1-2H3,(H,29,34)
InChIKeyVVBJXQSXQJENGQ-UHFFFAOYSA-N
MW470.57 g/mol
LogP4.46
Rot. Bonds10

About N-[3-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methoxybenzamide

N-[3-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methoxybenzamide (PubChem CID 16984221) has the molecular formula C28H30N4O3 and a molecular weight of 470.57 g/mol. Its IUPAC name is N-[3-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[3-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methoxybenzamide
PubChem CID16984221
Molecular FormulaC28H30N4O3
Molecular Weight470.57 g/mol
Exact Mass470.23
IUPAC NameN-[3-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methoxybenzamide
SMILESCCN(C(=O)Cn1c(CCCNC(=O)c2ccc(OC)cc2)nc2ccccc21)c1ccccc1
InChIInChI=1S/C28H30N4O3/c1-3-31(22-10-5-4-6-11-22)27(33)20-32-25-13-8-7-12-24(25)30-26(32)14-9-19-29-28(34)21-15-17-23(35-2)18-16-21/h4-8,10-13,15-18H,3,9,14,19-20H2,1-2H3,(H,29,34)
InChIKeyVVBJXQSXQJENGQ-UHFFFAOYSA-N
XLogP4.46
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 54.46
H-Bond Donors ≤ 51
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-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methoxybenzamide
CID 16984220
N-[3-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]butanamide
CID 16981231
N-[3-(1-butylbenzimidazol-2-yl)propyl]-4-methoxybenzamide
CID 16984092
2-[2-(5-acetamidopentyl)benzimidazol-1-yl]-N-ethyl-N-phenylacetamide
CID 16987946
4-methoxy-N-[3-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]propyl]benzamide
CID 16984228
N-[5-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]-4-methoxybenzamide
CID 16991346
2-chloro-N-[5-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide
CID 16989890
N-[3-[1-[2-(diethylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-(4-methoxyphenyl)acetamide
CID 16985636
N-[[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-methylbenzamide
CID 17007232
3-bromo-N-[2-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977868
N-[5-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide
CID 16994750
4-bromo-N-[3-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]propyl]benzamide
CID 16984748

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methoxybenzamide?
The IUPAC name of N-[3-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methoxybenzamide (CID 16984221) is N-[3-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methoxybenzamide.
What is the SMILES notation for N-[3-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methoxybenzamide?
The canonical SMILES for N-[3-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methoxybenzamide is CCN(C(=O)Cn1c(CCCNC(=O)c2ccc(OC)cc2)nc2ccccc21)c1ccccc1.
What is the InChIKey of N-[3-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methoxybenzamide?
The InChIKey is VVBJXQSXQJENGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O3/c1-3-31(22-10-5-4-6-11-22)27(33)20-32-25-13-8-7-12-24(25)30-26(32)14-9-19-29-28(34)21-15-17-23(35-2)18-16-21/h4-8,10-13,15-18H,3,9,14,19-20H2,1-2H3,(H,29,34).
What are the key properties of N-[3-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methoxybenzamide?
N-[3-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methoxybenzamide has a molecular weight of 470.57 g/mol, XLogP of 4.46, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methoxybenzamide is sourced from PubChem (CID 16984221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).