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

C29H33N5O2 — CID 4888718

IUPACN-[2-[2-(4-benzylpiperazin-1-yl)ethyl]-1-methylbenzimidazol-5-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc3c(c2)nc(CCN2CCN(Cc4ccccc4)CC2)n3C)cc1
InChIInChI=1S/C29H33N5O2/c1-32-27-13-10-24(30-29(35)23-8-11-25(36-2)12-9-23)20-26(27)31-28(32)14-15-33-16-18-34(19-17-33)21-22-6-4-3-5-7-22/h3-13,20H,14-19,21H2,1-2H3,(H,30,35)
InChIKeyGJWAFTBLRHBIEH-UHFFFAOYSA-N
MW483.62 g/mol
LogP4.19
Rot. Bonds8

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

N-[2-[2-(4-benzylpiperazin-1-yl)ethyl]-1-methylbenzimidazol-5-yl]-4-methoxybenzamide (PubChem CID 4888718) has the molecular formula C29H33N5O2 and a molecular weight of 483.62 g/mol. Its IUPAC name is N-[2-[2-(4-benzylpiperazin-1-yl)ethyl]-1-methylbenzimidazol-5-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[2-(4-benzylpiperazin-1-yl)ethyl]-1-methylbenzimidazol-5-yl]-4-methoxybenzamide
PubChem CID4888718
Molecular FormulaC29H33N5O2
Molecular Weight483.62 g/mol
Exact Mass483.26
IUPAC NameN-[2-[2-(4-benzylpiperazin-1-yl)ethyl]-1-methylbenzimidazol-5-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc3c(c2)nc(CCN2CCN(Cc4ccccc4)CC2)n3C)cc1
InChIInChI=1S/C29H33N5O2/c1-32-27-13-10-24(30-29(35)23-8-11-25(36-2)12-9-23)20-26(27)31-28(32)14-15-33-16-18-34(19-17-33)21-22-6-4-3-5-7-22/h3-13,20H,14-19,21H2,1-2H3,(H,30,35)
InChIKeyGJWAFTBLRHBIEH-UHFFFAOYSA-N
XLogP4.19
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.62
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[2-(4-benzylpiperazin-1-yl)ethyl]-1-methylbenzimidazol-5-yl]-4-methylbenzamide
CID 4888721
4-methoxy-N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]benzamide
CID 46328919
N-[2-[(4-ethylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-4-methoxybenzamide
CID 46263374
N-(2-benzyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)-4-methoxybenzamide
CID 2954264
4-methoxy-N-[1-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide
CID 46263404
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-phenoxyacetamide
CID 23611196
2-(4-methoxyphenyl)-N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]acetamide
CID 46328909
N-[2-[2-(4-ethylpiperazin-1-yl)ethyl]-1-methylbenzimidazol-5-yl]-2-methoxybenzamide
CID 4887664
N-[2-[(4-benzylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-2-(4-methylphenoxy)acetamide
CID 23611197
N-[2-[2-(4-benzoylpiperazin-1-yl)ethyl]-1-methylbenzimidazol-5-yl]-4-nitrobenzamide
CID 4888580

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-benzylpiperazin-1-yl)ethyl]-1-methylbenzimidazol-5-yl]-4-methoxybenzamide?
The IUPAC name of N-[2-[2-(4-benzylpiperazin-1-yl)ethyl]-1-methylbenzimidazol-5-yl]-4-methoxybenzamide (CID 4888718) is N-[2-[2-(4-benzylpiperazin-1-yl)ethyl]-1-methylbenzimidazol-5-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-[2-(4-benzylpiperazin-1-yl)ethyl]-1-methylbenzimidazol-5-yl]-4-methoxybenzamide?
The canonical SMILES for N-[2-[2-(4-benzylpiperazin-1-yl)ethyl]-1-methylbenzimidazol-5-yl]-4-methoxybenzamide is COc1ccc(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-methoxybenzamide?
The InChIKey is GJWAFTBLRHBIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N5O2/c1-32-27-13-10-24(30-29(35)23-8-11-25(36-2)12-9-23)20-26(27)31-28(32)14-15-33-16-18-34(19-17-33)21-22-6-4-3-5-7-22/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-methoxybenzamide?
N-[2-[2-(4-benzylpiperazin-1-yl)ethyl]-1-methylbenzimidazol-5-yl]-4-methoxybenzamide has a molecular weight of 483.62 g/mol, XLogP of 4.19, 8 rotatable bonds, 1 hydrogen bond donors, and 6 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-methoxybenzamide is sourced from PubChem (CID 4888718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).