N-[3-(2-oxoazepan-1-yl)propyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide

C25H30N4O3 — CID 112767643

IUPACN-[3-(2-oxoazepan-1-yl)propyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
SMILESO=C(Cn1c(COc2ccccc2)nc2ccccc21)NCCCN1CCCCCC1=O
InChIInChI=1S/C25H30N4O3/c30-24(26-15-9-17-28-16-8-2-5-14-25(28)31)18-29-22-13-7-6-12-21(22)27-23(29)19-32-20-10-3-1-4-11-20/h1,3-4,6-7,10-13H,2,5,8-9,14-19H2,(H,26,30)
InChIKeyWYCWCPISBZUDCL-UHFFFAOYSA-N
MW434.54 g/mol
LogP3.52
Rot. Bonds9

About N-[3-(2-oxoazepan-1-yl)propyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide

N-[3-(2-oxoazepan-1-yl)propyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide (PubChem CID 112767643) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is N-[3-(2-oxoazepan-1-yl)propyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[3-(2-oxoazepan-1-yl)propyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
PubChem CID112767643
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC NameN-[3-(2-oxoazepan-1-yl)propyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
SMILESO=C(Cn1c(COc2ccccc2)nc2ccccc21)NCCCN1CCCCCC1=O
InChIInChI=1S/C25H30N4O3/c30-24(26-15-9-17-28-16-8-2-5-14-25(28)31)18-29-22-13-7-6-12-21(22)27-23(29)19-32-20-10-3-1-4-11-20/h1,3-4,6-7,10-13H,2,5,8-9,14-19H2,(H,26,30)
InChIKeyWYCWCPISBZUDCL-UHFFFAOYSA-N
XLogP3.52
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-(2-oxoazepan-1-yl)propyl]-2-[2-(phenoxymethyl)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

N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 112767743
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 24583706
N-(2-methoxyethyl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 35805150
N-[3-(1-methylbenzimidazol-2-yl)propyl]-3-(2-oxoazepan-1-yl)propanamide
CID 122562630
N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 78777422
N-butyl-2-[2-[(3-methylphenoxy)methyl]benzimidazol-1-yl]acetamide
CID 17031952
2-(phenoxymethyl)-1-(2-piperidin-1-ylethyl)benzimidazole
CID 112828549
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 25430739
2-(2-oxopiperidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 86984731
N-[[1-[2-(butylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide
CID 17029148
2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-phenylacetamide
CID 17032157
N-(3-methoxyphenyl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 3597096

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-oxoazepan-1-yl)propyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-[3-(2-oxoazepan-1-yl)propyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide (CID 112767643) is N-[3-(2-oxoazepan-1-yl)propyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-[3-(2-oxoazepan-1-yl)propyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-[3-(2-oxoazepan-1-yl)propyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide is O=C(Cn1c(COc2ccccc2)nc2ccccc21)NCCCN1CCCCCC1=O.
What is the InChIKey of N-[3-(2-oxoazepan-1-yl)propyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide?
The InChIKey is WYCWCPISBZUDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3/c30-24(26-15-9-17-28-16-8-2-5-14-25(28)31)18-29-22-13-7-6-12-21(22)27-23(29)19-32-20-10-3-1-4-11-20/h1,3-4,6-7,10-13H,2,5,8-9,14-19H2,(H,26,30).
What are the key properties of N-[3-(2-oxoazepan-1-yl)propyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide?
N-[3-(2-oxoazepan-1-yl)propyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide has a molecular weight of 434.54 g/mol, XLogP of 3.52, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-oxoazepan-1-yl)propyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 112767643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).