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

C29H38N4O3 — CID 16994112

IUPAC2-(4-methoxyphenyl)-N-[5-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pentyl]acetamide
SMILESCOc1ccc(CC(=O)NCCCCCc2nc3ccccc3n2CC(=O)N2CCCCC2C)cc1
InChIInChI=1S/C29H38N4O3/c1-22-10-7-9-19-32(22)29(35)21-33-26-12-6-5-11-25(26)31-27(33)13-4-3-8-18-30-28(34)20-23-14-16-24(36-2)17-15-23/h5-6,11-12,14-17,22H,3-4,7-10,13,18-21H2,1-2H3,(H,30,34)
InChIKeyZHFGRNNOHKIEQW-UHFFFAOYSA-N
MW490.65 g/mol
LogP4.52
Rot. Bonds11

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

2-(4-methoxyphenyl)-N-[5-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pentyl]acetamide (PubChem CID 16994112) has the molecular formula C29H38N4O3 and a molecular weight of 490.65 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[5-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pentyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[5-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pentyl]acetamide
PubChem CID16994112
Molecular FormulaC29H38N4O3
Molecular Weight490.65 g/mol
Exact Mass490.29
IUPAC Name2-(4-methoxyphenyl)-N-[5-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pentyl]acetamide
SMILESCOc1ccc(CC(=O)NCCCCCc2nc3ccccc3n2CC(=O)N2CCCCC2C)cc1
InChIInChI=1S/C29H38N4O3/c1-22-10-7-9-19-32(22)29(35)21-33-26-12-6-5-11-25(26)31-27(33)13-4-3-8-18-30-28(34)20-23-14-16-24(36-2)17-15-23/h5-6,11-12,14-17,22H,3-4,7-10,13,18-21H2,1-2H3,(H,30,34)
InChIKeyZHFGRNNOHKIEQW-UHFFFAOYSA-N
XLogP4.52
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.65
LogP ≤ 54.52
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-[5-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pentyl]-3-phenylpropanamide
CID 16992654
2-(4-methoxyphenyl)-N-[3-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]propyl]acetamide
CID 16985650
2-fluoro-N-[5-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide
CID 16990062
N-[3-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide
CID 16981753
2-(4-methoxyphenyl)-N-[5-(1-prop-2-ynylbenzimidazol-2-yl)pentyl]acetamide
CID 16993972
N-[3-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]propyl]furan-2-carboxamide
CID 16982026
N-[3-[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-(4-methoxyphenyl)acetamide
CID 16985663
2,2-dimethyl-N-[2-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]propanamide
CID 16975055
2-[2-(2-hydroxyethyl)benzimidazol-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone
CID 40823641
N-[5-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]pentyl]-2-(4-methoxyphenyl)acetamide
CID 16993993
N-[3-[1-[2-(diethylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-(4-methoxyphenyl)acetamide
CID 16985636
N-[5-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pentyl]-2-(4-phenylphenyl)acetamide
CID 16994327

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[5-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pentyl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[5-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pentyl]acetamide (CID 16994112) is 2-(4-methoxyphenyl)-N-[5-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pentyl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[5-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pentyl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[5-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pentyl]acetamide is COc1ccc(CC(=O)NCCCCCc2nc3ccccc3n2CC(=O)N2CCCCC2C)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[5-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pentyl]acetamide?
The InChIKey is ZHFGRNNOHKIEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N4O3/c1-22-10-7-9-19-32(22)29(35)21-33-26-12-6-5-11-25(26)31-27(33)13-4-3-8-18-30-28(34)20-23-14-16-24(36-2)17-15-23/h5-6,11-12,14-17,22H,3-4,7-10,13,18-21H2,1-2H3,(H,30,34).
What are the key properties of 2-(4-methoxyphenyl)-N-[5-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pentyl]acetamide?
2-(4-methoxyphenyl)-N-[5-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pentyl]acetamide has a molecular weight of 490.65 g/mol, XLogP of 4.52, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[5-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pentyl]acetamide is sourced from PubChem (CID 16994112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).