N-[5-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]-2-(4-methoxyphenyl)acetamide

C28H38N4O3 — CID 16994101

IUPACN-[5-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]-2-(4-methoxyphenyl)acetamide
SMILESCCCCN(C)C(=O)Cn1c(CCCCCNC(=O)Cc2ccc(OC)cc2)nc2ccccc21
InChIInChI=1S/C28H38N4O3/c1-4-5-19-31(2)28(34)21-32-25-12-9-8-11-24(25)30-26(32)13-7-6-10-18-29-27(33)20-22-14-16-23(35-3)17-15-22/h8-9,11-12,14-17H,4-7,10,13,18-21H2,1-3H3,(H,29,33)
InChIKeyGGWDUDGDYXTLLV-UHFFFAOYSA-N
MW478.64 g/mol
LogP4.38
Rot. Bonds14

About N-[5-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]-2-(4-methoxyphenyl)acetamide

N-[5-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]-2-(4-methoxyphenyl)acetamide (PubChem CID 16994101) has the molecular formula C28H38N4O3 and a molecular weight of 478.64 g/mol. Its IUPAC name is N-[5-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[5-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]-2-(4-methoxyphenyl)acetamide
PubChem CID16994101
Molecular FormulaC28H38N4O3
Molecular Weight478.64 g/mol
Exact Mass478.29
IUPAC NameN-[5-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]-2-(4-methoxyphenyl)acetamide
SMILESCCCCN(C)C(=O)Cn1c(CCCCCNC(=O)Cc2ccc(OC)cc2)nc2ccccc21
InChIInChI=1S/C28H38N4O3/c1-4-5-19-31(2)28(34)21-32-25-12-9-8-11-24(25)30-26(32)13-7-6-10-18-29-27(33)20-22-14-16-23(35-3)17-15-22/h8-9,11-12,14-17H,4-7,10,13,18-21H2,1-3H3,(H,29,33)
InChIKeyGGWDUDGDYXTLLV-UHFFFAOYSA-N
XLogP4.38
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.64
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[5-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]-2-(4-methoxyphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methoxybenzamide
CID 16984220
N-[5-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]-3-methoxybenzamide
CID 16990861
N-[2-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16979039
2-[2-(5-acetamidopentyl)benzimidazol-1-yl]-N-butyl-N-methylacetamide
CID 16987945
N-[3-[1-[2-(diethylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-(4-methoxyphenyl)acetamide
CID 16985636
2-(4-methoxyphenyl)-N-[3-(1-nonylbenzimidazol-2-yl)propyl]acetamide
CID 16985520
N-[3-(1-hexylbenzimidazol-2-yl)propyl]-2-(4-methoxyphenyl)acetamide
CID 16985517
N-[3-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-(2-chlorophenyl)acetamide
CID 16985317
2-(4-methoxyphenyl)-N-[5-[1-(2-methylbutyl)benzimidazol-2-yl]pentyl]acetamide
CID 16993974
2-(4-methoxyphenyl)-N-[5-(1-prop-2-ynylbenzimidazol-2-yl)pentyl]acetamide
CID 16993972
N-[3-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-ethylbutanamide
CID 16981083
N-[2-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]butanamide
CID 16974512

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[5-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]-2-(4-methoxyphenyl)acetamide (CID 16994101) is N-[5-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[5-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[5-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]-2-(4-methoxyphenyl)acetamide is CCCCN(C)C(=O)Cn1c(CCCCCNC(=O)Cc2ccc(OC)cc2)nc2ccccc21.
What is the InChIKey of N-[5-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is GGWDUDGDYXTLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N4O3/c1-4-5-19-31(2)28(34)21-32-25-12-9-8-11-24(25)30-26(32)13-7-6-10-18-29-27(33)20-22-14-16-23(35-3)17-15-22/h8-9,11-12,14-17H,4-7,10,13,18-21H2,1-3H3,(H,29,33).
What are the key properties of N-[5-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]-2-(4-methoxyphenyl)acetamide?
N-[5-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 478.64 g/mol, XLogP of 4.38, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 16994101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).