N-butyl-2-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]acetamide

C21H25N3O2 — CID 17032573

IUPACN-butyl-2-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]acetamide
SMILESCCCCNC(=O)Cn1c(Cc2ccc(OC)cc2)nc2ccccc21
InChIInChI=1S/C21H25N3O2/c1-3-4-13-22-21(25)15-24-19-8-6-5-7-18(19)23-20(24)14-16-9-11-17(26-2)12-10-16/h5-12H,3-4,13-15H2,1-2H3,(H,22,25)
InChIKeyJUGXPSBUXOMPEQ-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.55
Rot. Bonds8

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

N-butyl-2-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]acetamide (PubChem CID 17032573) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-butyl-2-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-butyl-2-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]acetamide
PubChem CID17032573
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-butyl-2-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]acetamide
SMILESCCCCNC(=O)Cn1c(Cc2ccc(OC)cc2)nc2ccccc21
InChIInChI=1S/C21H25N3O2/c1-3-4-13-22-21(25)15-24-19-8-6-5-7-18(19)23-20(24)14-16-9-11-17(26-2)12-10-16/h5-12H,3-4,13-15H2,1-2H3,(H,22,25)
InChIKeyJUGXPSBUXOMPEQ-UHFFFAOYSA-N
XLogP3.55
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-butyl-2-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]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

2-[2-[(4-chlorophenyl)methyl]benzimidazol-1-yl]-N-(3-methoxypropyl)acetamide
CID 17032534
N-[(4-methoxyphenyl)methyl]-2-(2-propylbenzimidazol-1-yl)acetamide
CID 17028685
N-butyl-2-[2-(naphthalen-1-ylmethyl)benzimidazol-1-yl]acetamide
CID 17033393
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
2-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 17032665
N-[[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]benzimidazol-2-yl]methyl]propanamide
CID 17028946
2-[2-(2-acetamidoethyl)benzimidazol-1-yl]-N-butylacetamide
CID 17030211
N-(4-fluorophenyl)-2-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]acetamide
CID 17032599
N-[3-[1-[2-(4-methoxyanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]butanamide
CID 17031119
N-butyl-2-[2-[(3-methylphenoxy)methyl]benzimidazol-1-yl]acetamide
CID 17031952
2-[2-(acetamidomethyl)benzimidazol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 17028897

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]acetamide?
The IUPAC name of N-butyl-2-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]acetamide (CID 17032573) is N-butyl-2-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-butyl-2-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]acetamide?
The canonical SMILES for N-butyl-2-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]acetamide is CCCCNC(=O)Cn1c(Cc2ccc(OC)cc2)nc2ccccc21.
What is the InChIKey of N-butyl-2-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]acetamide?
The InChIKey is JUGXPSBUXOMPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-3-4-13-22-21(25)15-24-19-8-6-5-7-18(19)23-20(24)14-16-9-11-17(26-2)12-10-16/h5-12H,3-4,13-15H2,1-2H3,(H,22,25).
What are the key properties of N-butyl-2-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]acetamide?
N-butyl-2-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]acetamide has a molecular weight of 351.45 g/mol, XLogP of 3.55, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]acetamide is sourced from PubChem (CID 17032573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).