2-(2-methylphenoxy)-N-[2-(piperidin-1-ylmethyl)-1-propylbenzimidazol-5-yl]acetamide

C25H32N4O2 — CID 53207549

IUPAC2-(2-methylphenoxy)-N-[2-(piperidin-1-ylmethyl)-1-propylbenzimidazol-5-yl]acetamide
SMILESCCCn1c(CN2CCCCC2)nc2cc(NC(=O)COc3ccccc3C)ccc21
InChIInChI=1S/C25H32N4O2/c1-3-13-29-22-12-11-20(26-25(30)18-31-23-10-6-5-9-19(23)2)16-21(22)27-24(29)17-28-14-7-4-8-15-28/h5-6,9-12,16H,3-4,7-8,13-15,17-18H2,1-2H3,(H,26,30)
InChIKeyYLZNDTHKAHPCJO-UHFFFAOYSA-N
MW420.56 g/mol
LogP4.76
Rot. Bonds8

About 2-(2-methylphenoxy)-N-[2-(piperidin-1-ylmethyl)-1-propylbenzimidazol-5-yl]acetamide

2-(2-methylphenoxy)-N-[2-(piperidin-1-ylmethyl)-1-propylbenzimidazol-5-yl]acetamide (PubChem CID 53207549) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-N-[2-(piperidin-1-ylmethyl)-1-propylbenzimidazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(2-methylphenoxy)-N-[2-(piperidin-1-ylmethyl)-1-propylbenzimidazol-5-yl]acetamide
PubChem CID53207549
Molecular FormulaC25H32N4O2
Molecular Weight420.56 g/mol
Exact Mass420.25
IUPAC Name2-(2-methylphenoxy)-N-[2-(piperidin-1-ylmethyl)-1-propylbenzimidazol-5-yl]acetamide
SMILESCCCn1c(CN2CCCCC2)nc2cc(NC(=O)COc3ccccc3C)ccc21
InChIInChI=1S/C25H32N4O2/c1-3-13-29-22-12-11-20(26-25(30)18-31-23-10-6-5-9-19(23)2)16-21(22)27-24(29)17-28-14-7-4-8-15-28/h5-6,9-12,16H,3-4,7-8,13-15,17-18H2,1-2H3,(H,26,30)
InChIKeyYLZNDTHKAHPCJO-UHFFFAOYSA-N
XLogP4.76
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-butyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]-2-(2-chlorophenoxy)acetamide
CID 50745132
2-(2-methylphenoxy)-N-[2-(piperidin-1-ylmethyl)-1-propan-2-ylbenzimidazol-5-yl]acetamide
CID 53207578
N-[1-butyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]-2-(3-methylphenoxy)acetamide
CID 53207619
2-(2-chlorophenoxy)-N-[1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]acetamide
CID 17236140
2-(4-methoxyphenoxy)-N-[2-[(4-methylpiperazin-1-yl)methyl]-1-propylbenzimidazol-5-yl]acetamide
CID 17236113
2-methyl-N-[2-(piperidin-1-ylmethyl)-1-propylbenzimidazol-5-yl]propanamide
CID 53207528
N-[2-(azepan-1-ylmethyl)-1-propylbenzimidazol-5-yl]-3,4,5-trimethoxybenzamide
CID 46263978
N-[1-butyl-2-(pyrrolidin-1-ylmethyl)benzimidazol-5-yl]propanamide
CID 53207694
2-(2-methylphenoxy)-N-[2-[(4-methylpiperidin-1-yl)methyl]-1-propan-2-ylbenzimidazol-5-yl]acetamide
CID 53207599
N-[2-[(4-benzylpiperazin-1-yl)methyl]-1-propylbenzimidazol-5-yl]propanamide
CID 23611201
N-[1-butyl-2-[(4-methylpiperidin-1-yl)methyl]benzimidazol-5-yl]-2-phenoxyacetamide
CID 53207634
2-(2-chlorophenoxy)-N-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]acetamide
CID 23611162

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-N-[2-(piperidin-1-ylmethyl)-1-propylbenzimidazol-5-yl]acetamide?
The IUPAC name of 2-(2-methylphenoxy)-N-[2-(piperidin-1-ylmethyl)-1-propylbenzimidazol-5-yl]acetamide (CID 53207549) is 2-(2-methylphenoxy)-N-[2-(piperidin-1-ylmethyl)-1-propylbenzimidazol-5-yl]acetamide.
What is the SMILES notation for 2-(2-methylphenoxy)-N-[2-(piperidin-1-ylmethyl)-1-propylbenzimidazol-5-yl]acetamide?
The canonical SMILES for 2-(2-methylphenoxy)-N-[2-(piperidin-1-ylmethyl)-1-propylbenzimidazol-5-yl]acetamide is CCCn1c(CN2CCCCC2)nc2cc(NC(=O)COc3ccccc3C)ccc21.
What is the InChIKey of 2-(2-methylphenoxy)-N-[2-(piperidin-1-ylmethyl)-1-propylbenzimidazol-5-yl]acetamide?
The InChIKey is YLZNDTHKAHPCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O2/c1-3-13-29-22-12-11-20(26-25(30)18-31-23-10-6-5-9-19(23)2)16-21(22)27-24(29)17-28-14-7-4-8-15-28/h5-6,9-12,16H,3-4,7-8,13-15,17-18H2,1-2H3,(H,26,30).
What are the key properties of 2-(2-methylphenoxy)-N-[2-(piperidin-1-ylmethyl)-1-propylbenzimidazol-5-yl]acetamide?
2-(2-methylphenoxy)-N-[2-(piperidin-1-ylmethyl)-1-propylbenzimidazol-5-yl]acetamide has a molecular weight of 420.56 g/mol, XLogP of 4.76, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)-N-[2-(piperidin-1-ylmethyl)-1-propylbenzimidazol-5-yl]acetamide is sourced from PubChem (CID 53207549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).