N-[2-[(4-benzylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-2-phenoxyacetamide

C28H31N5O2 — CID 23611196

IUPACN-[2-[(4-benzylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-2-phenoxyacetamide
SMILESCn1c(CN2CCN(Cc3ccccc3)CC2)nc2cc(NC(=O)COc3ccccc3)ccc21
InChIInChI=1S/C28H31N5O2/c1-31-26-13-12-23(29-28(34)21-35-24-10-6-3-7-11-24)18-25(26)30-27(31)20-33-16-14-32(15-17-33)19-22-8-4-2-5-9-22/h2-13,18H,14-17,19-21H2,1H3,(H,29,34)
InChIKeyNHIIHWRPBBLDNM-UHFFFAOYSA-N
MW469.59 g/mol
LogP3.91
Rot. Bonds8

About N-[2-[(4-benzylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-2-phenoxyacetamide

N-[2-[(4-benzylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-2-phenoxyacetamide (PubChem CID 23611196) has the molecular formula C28H31N5O2 and a molecular weight of 469.59 g/mol. Its IUPAC name is N-[2-[(4-benzylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[2-[(4-benzylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-2-phenoxyacetamide
PubChem CID23611196
Molecular FormulaC28H31N5O2
Molecular Weight469.59 g/mol
Exact Mass469.25
IUPAC NameN-[2-[(4-benzylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-2-phenoxyacetamide
SMILESCn1c(CN2CCN(Cc3ccccc3)CC2)nc2cc(NC(=O)COc3ccccc3)ccc21
InChIInChI=1S/C28H31N5O2/c1-31-26-13-12-23(29-28(34)21-35-24-10-6-3-7-11-24)18-25(26)30-27(31)20-33-16-14-32(15-17-33)19-22-8-4-2-5-9-22/h2-13,18H,14-17,19-21H2,1H3,(H,29,34)
InChIKeyNHIIHWRPBBLDNM-UHFFFAOYSA-N
XLogP3.91
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.59
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[(4-benzylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-2-(4-methylphenoxy)acetamide
CID 23611197
N-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]-2-(4-methylphenoxy)acetamide
CID 23611156
N-[2-[(4-acetylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-2-(4-methoxyphenoxy)acetamide;hydrochloride
CID 16682075
2-(2-chlorophenoxy)-N-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]acetamide
CID 23611162
N-[1-butyl-2-[(4-methylpiperidin-1-yl)methyl]benzimidazol-5-yl]-2-phenoxyacetamide
CID 53207634
N-[2-[2-(4-benzylpiperazin-1-yl)ethyl]-1-methylbenzimidazol-5-yl]-4-methoxybenzamide
CID 4888718
N-[2-[(4-benzylpiperazin-1-yl)methyl]-1-propylbenzimidazol-5-yl]propanamide
CID 23611201
N-[2-[2-(4-benzoylpiperazin-1-yl)ethyl]-1-methylbenzimidazol-5-yl]-2-(4-methylphenoxy)acetamide
CID 4888420
2-(4-methoxyphenoxy)-N-[2-[(4-methylpiperazin-1-yl)methyl]-1-propylbenzimidazol-5-yl]acetamide
CID 17236113
N-[2-[2-(4-benzylpiperazin-1-yl)ethyl]-1-methylbenzimidazol-5-yl]-4-methylbenzamide
CID 4888721
2-(4-chlorophenoxy)-N-[1-methyl-2-(2-morpholin-4-ylethyl)benzimidazol-5-yl]acetamide
CID 666438
2-(3-acetylphenoxy)-N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]acetamide
CID 55647563

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-benzylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-2-phenoxyacetamide?
The IUPAC name of N-[2-[(4-benzylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-2-phenoxyacetamide (CID 23611196) is N-[2-[(4-benzylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-2-phenoxyacetamide.
What is the SMILES notation for N-[2-[(4-benzylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-2-phenoxyacetamide?
The canonical SMILES for N-[2-[(4-benzylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-2-phenoxyacetamide is Cn1c(CN2CCN(Cc3ccccc3)CC2)nc2cc(NC(=O)COc3ccccc3)ccc21.
What is the InChIKey of N-[2-[(4-benzylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-2-phenoxyacetamide?
The InChIKey is NHIIHWRPBBLDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O2/c1-31-26-13-12-23(29-28(34)21-35-24-10-6-3-7-11-24)18-25(26)30-27(31)20-33-16-14-32(15-17-33)19-22-8-4-2-5-9-22/h2-13,18H,14-17,19-21H2,1H3,(H,29,34).
What are the key properties of N-[2-[(4-benzylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-2-phenoxyacetamide?
N-[2-[(4-benzylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-2-phenoxyacetamide has a molecular weight of 469.59 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-benzylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-2-phenoxyacetamide is sourced from PubChem (CID 23611196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).