N-[1-butyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]-2-(3-methylphenoxy)acetamide

C26H34N4O2 — CID 53207619

IUPACN-[1-butyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]-2-(3-methylphenoxy)acetamide
SMILESCCCCn1c(CN2CCCCC2)nc2cc(NC(=O)COc3cccc(C)c3)ccc21
InChIInChI=1S/C26H34N4O2/c1-3-4-15-30-24-12-11-21(27-26(31)19-32-22-10-8-9-20(2)16-22)17-23(24)28-25(30)18-29-13-6-5-7-14-29/h8-12,16-17H,3-7,13-15,18-19H2,1-2H3,(H,27,31)
InChIKeyULRDMPWECPCMFI-UHFFFAOYSA-N
MW434.58 g/mol
LogP5.15
Rot. Bonds9

About N-[1-butyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]-2-(3-methylphenoxy)acetamide

N-[1-butyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]-2-(3-methylphenoxy)acetamide (PubChem CID 53207619) has the molecular formula C26H34N4O2 and a molecular weight of 434.58 g/mol. Its IUPAC name is N-[1-butyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]-2-(3-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[1-butyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]-2-(3-methylphenoxy)acetamide
PubChem CID53207619
Molecular FormulaC26H34N4O2
Molecular Weight434.58 g/mol
Exact Mass434.27
IUPAC NameN-[1-butyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]-2-(3-methylphenoxy)acetamide
SMILESCCCCn1c(CN2CCCCC2)nc2cc(NC(=O)COc3cccc(C)c3)ccc21
InChIInChI=1S/C26H34N4O2/c1-3-4-15-30-24-12-11-21(27-26(31)19-32-22-10-8-9-20(2)16-22)17-23(24)28-25(30)18-29-13-6-5-7-14-29/h8-12,16-17H,3-7,13-15,18-19H2,1-2H3,(H,27,31)
InChIKeyULRDMPWECPCMFI-UHFFFAOYSA-N
XLogP5.15
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.58
LogP ≤ 55.15
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
N-[2-[(4-acetylpiperazin-1-yl)methyl]-1-ethylbenzimidazol-5-yl]-2-(3-methylphenoxy)acetamide
CID 17236012
N-[1-butyl-2-[(4-methylpiperidin-1-yl)methyl]benzimidazol-5-yl]-2-phenoxyacetamide
CID 53207634
N-[1-butyl-2-(pyrrolidin-1-ylmethyl)benzimidazol-5-yl]propanamide
CID 53207694
2-(2-methylphenoxy)-N-[2-(piperidin-1-ylmethyl)-1-propylbenzimidazol-5-yl]acetamide
CID 53207549
2-(4-methoxyphenoxy)-N-[2-[(4-methylpiperazin-1-yl)methyl]-1-propylbenzimidazol-5-yl]acetamide
CID 17236113
N-[2-(azepan-1-ylmethyl)-1-ethylbenzimidazol-5-yl]pentanamide
CID 23612860
2-methyl-N-[2-(piperidin-1-ylmethyl)-1-propylbenzimidazol-5-yl]propanamide
CID 53207528
N-[2-[(4-benzylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-2-phenoxyacetamide
CID 23611196
N-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]-2-(4-methylphenoxy)acetamide
CID 23611156
2-(2-chlorophenoxy)-N-[1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]acetamide
CID 17236140
N-[2-(azepan-1-ylmethyl)-1-propylbenzimidazol-5-yl]-3,4,5-trimethoxybenzamide
CID 46263978

Frequently Asked Questions

What is the IUPAC name of N-[1-butyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]-2-(3-methylphenoxy)acetamide?
The IUPAC name of N-[1-butyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]-2-(3-methylphenoxy)acetamide (CID 53207619) is N-[1-butyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]-2-(3-methylphenoxy)acetamide.
What is the SMILES notation for N-[1-butyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]-2-(3-methylphenoxy)acetamide?
The canonical SMILES for N-[1-butyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]-2-(3-methylphenoxy)acetamide is CCCCn1c(CN2CCCCC2)nc2cc(NC(=O)COc3cccc(C)c3)ccc21.
What is the InChIKey of N-[1-butyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]-2-(3-methylphenoxy)acetamide?
The InChIKey is ULRDMPWECPCMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O2/c1-3-4-15-30-24-12-11-21(27-26(31)19-32-22-10-8-9-20(2)16-22)17-23(24)28-25(30)18-29-13-6-5-7-14-29/h8-12,16-17H,3-7,13-15,18-19H2,1-2H3,(H,27,31).
What are the key properties of N-[1-butyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]-2-(3-methylphenoxy)acetamide?
N-[1-butyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]-2-(3-methylphenoxy)acetamide has a molecular weight of 434.58 g/mol, XLogP of 5.15, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-butyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]-2-(3-methylphenoxy)acetamide is sourced from PubChem (CID 53207619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).