N-[2-[2-(4-benzylpiperazin-1-yl)ethyl]-1-methylbenzimidazol-5-yl]-4-methylbenzamide

C29H33N5O — CID 4888721

IUPACN-[2-[2-(4-benzylpiperazin-1-yl)ethyl]-1-methylbenzimidazol-5-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc3c(c2)nc(CCN2CCN(Cc4ccccc4)CC2)n3C)cc1
InChIInChI=1S/C29H33N5O/c1-22-8-10-24(11-9-22)29(35)30-25-12-13-27-26(20-25)31-28(32(27)2)14-15-33-16-18-34(19-17-33)21-23-6-4-3-5-7-23/h3-13,20H,14-19,21H2,1-2H3,(H,30,35)
InChIKeyZEUQBECFCSKTSX-UHFFFAOYSA-N
MW467.62 g/mol
LogP4.49
Rot. Bonds7

About N-[2-[2-(4-benzylpiperazin-1-yl)ethyl]-1-methylbenzimidazol-5-yl]-4-methylbenzamide

N-[2-[2-(4-benzylpiperazin-1-yl)ethyl]-1-methylbenzimidazol-5-yl]-4-methylbenzamide (PubChem CID 4888721) has the molecular formula C29H33N5O and a molecular weight of 467.62 g/mol. Its IUPAC name is N-[2-[2-(4-benzylpiperazin-1-yl)ethyl]-1-methylbenzimidazol-5-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-[2-(4-benzylpiperazin-1-yl)ethyl]-1-methylbenzimidazol-5-yl]-4-methylbenzamide
PubChem CID4888721
Molecular FormulaC29H33N5O
Molecular Weight467.62 g/mol
Exact Mass467.27
IUPAC NameN-[2-[2-(4-benzylpiperazin-1-yl)ethyl]-1-methylbenzimidazol-5-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc3c(c2)nc(CCN2CCN(Cc4ccccc4)CC2)n3C)cc1
InChIInChI=1S/C29H33N5O/c1-22-8-10-24(11-9-22)29(35)30-25-12-13-27-26(20-25)31-28(32(27)2)14-15-33-16-18-34(19-17-33)21-23-6-4-3-5-7-23/h3-13,20H,14-19,21H2,1-2H3,(H,30,35)
InChIKeyZEUQBECFCSKTSX-UHFFFAOYSA-N
XLogP4.49
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.62
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[2-(4-benzylpiperazin-1-yl)ethyl]-1-methylbenzimidazol-5-yl]-4-methoxybenzamide
CID 4888718
N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]benzamide
CID 46328940
4-fluoro-N-[1-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]benzimidazol-5-yl]benzamide
CID 4886121
N-[2-[(4-benzylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-2-(4-methylphenoxy)acetamide
CID 23611197
N-[1-methyl-2-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]benzimidazol-5-yl]-4-nitrobenzamide
CID 4895623
N-[2-[2-(4-benzoylpiperazin-1-yl)ethyl]-1-methylbenzimidazol-5-yl]-4-nitrobenzamide
CID 4888580
3-methyl-N-[1-methyl-2-(2-morpholin-4-ylethyl)benzimidazol-5-yl]benzamide
CID 4890224
4-methoxy-N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]benzamide
CID 46328919
4-methyl-N-[1-methyl-2-[(2-methylphenyl)methyl]benzimidazol-5-yl]benzamide
CID 46260906
N-[2-[2-(4-benzoylpiperazin-1-yl)ethyl]-1-methylbenzimidazol-5-yl]-2-(4-methylphenoxy)acetamide
CID 4888420
N-[2-[2-(4-ethylpiperazin-1-yl)ethyl]-1-methylbenzimidazol-5-yl]-4-nitrobenzamide
CID 4970832
1-[1-methyl-2-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-5-yl]-3-phenylurea
CID 4886323

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-benzylpiperazin-1-yl)ethyl]-1-methylbenzimidazol-5-yl]-4-methylbenzamide?
The IUPAC name of N-[2-[2-(4-benzylpiperazin-1-yl)ethyl]-1-methylbenzimidazol-5-yl]-4-methylbenzamide (CID 4888721) is N-[2-[2-(4-benzylpiperazin-1-yl)ethyl]-1-methylbenzimidazol-5-yl]-4-methylbenzamide.
What is the SMILES notation for N-[2-[2-(4-benzylpiperazin-1-yl)ethyl]-1-methylbenzimidazol-5-yl]-4-methylbenzamide?
The canonical SMILES for N-[2-[2-(4-benzylpiperazin-1-yl)ethyl]-1-methylbenzimidazol-5-yl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc3c(c2)nc(CCN2CCN(Cc4ccccc4)CC2)n3C)cc1.
What is the InChIKey of N-[2-[2-(4-benzylpiperazin-1-yl)ethyl]-1-methylbenzimidazol-5-yl]-4-methylbenzamide?
The InChIKey is ZEUQBECFCSKTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N5O/c1-22-8-10-24(11-9-22)29(35)30-25-12-13-27-26(20-25)31-28(32(27)2)14-15-33-16-18-34(19-17-33)21-23-6-4-3-5-7-23/h3-13,20H,14-19,21H2,1-2H3,(H,30,35).
What are the key properties of N-[2-[2-(4-benzylpiperazin-1-yl)ethyl]-1-methylbenzimidazol-5-yl]-4-methylbenzamide?
N-[2-[2-(4-benzylpiperazin-1-yl)ethyl]-1-methylbenzimidazol-5-yl]-4-methylbenzamide has a molecular weight of 467.62 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-benzylpiperazin-1-yl)ethyl]-1-methylbenzimidazol-5-yl]-4-methylbenzamide is sourced from PubChem (CID 4888721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).