2-(2-ethylbenzimidazol-1-yl)-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]acetamide

C25H33N5O — CID 55620613

IUPAC2-(2-ethylbenzimidazol-1-yl)-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]acetamide
SMILESCCc1nc2ccccc2n1CC(=O)NCCCN1CCN(C)CC1c1ccccc1
InChIInChI=1S/C25H33N5O/c1-3-24-27-21-12-7-8-13-22(21)30(24)19-25(31)26-14-9-15-29-17-16-28(2)18-23(29)20-10-5-4-6-11-20/h4-8,10-13,23H,3,9,14-19H2,1-2H3,(H,26,31)
InChIKeyVBPCXPQWUQVONE-UHFFFAOYSA-N
MW419.57 g/mol
LogP3.09
Rot. Bonds8

About 2-(2-ethylbenzimidazol-1-yl)-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]acetamide

2-(2-ethylbenzimidazol-1-yl)-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]acetamide (PubChem CID 55620613) has the molecular formula C25H33N5O and a molecular weight of 419.57 g/mol. Its IUPAC name is 2-(2-ethylbenzimidazol-1-yl)-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(2-ethylbenzimidazol-1-yl)-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]acetamide
PubChem CID55620613
Molecular FormulaC25H33N5O
Molecular Weight419.57 g/mol
Exact Mass419.27
IUPAC Name2-(2-ethylbenzimidazol-1-yl)-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]acetamide
SMILESCCc1nc2ccccc2n1CC(=O)NCCCN1CCN(C)CC1c1ccccc1
InChIInChI=1S/C25H33N5O/c1-3-24-27-21-12-7-8-13-22(21)30(24)19-25(31)26-14-9-15-29-17-16-28(2)18-23(29)20-10-5-4-6-11-20/h4-8,10-13,23H,3,9,14-19H2,1-2H3,(H,26,31)
InChIKeyVBPCXPQWUQVONE-UHFFFAOYSA-N
XLogP3.09
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[(2S)-4-methyl-2-phenylpiperazin-1-yl]propyl]-3-phenylpropanamide
CID 37295921
N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]quinoline-4-carboxamide
CID 166205908
N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]-2-(6-methyl-3-pyridinyl)acetamide
CID 55939655
2-(2-ethylbenzimidazol-1-yl)-N-[4-(4-methylphenoxy)butyl]acetamide
CID 55799713
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]acetamide
CID 60509713
2-(2-ethylbenzimidazol-1-yl)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide
CID 51102469
2-(2-ethylbenzimidazol-1-yl)-N-(2-naphthalen-1-yloxyethyl)acetamide
CID 55889267
N-[[1-[2-(butylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide
CID 17029148
1-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]ethanone
CID 37334061
5-(4-methyl-2-phenylpiperazin-1-yl)pentan-1-ol
CID 62227844
2-[2-(2-acetamidoethyl)benzimidazol-1-yl]-N-butylacetamide
CID 17030211
N-[2-[1-[2-(butylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17030651

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylbenzimidazol-1-yl)-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]acetamide?
The IUPAC name of 2-(2-ethylbenzimidazol-1-yl)-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]acetamide (CID 55620613) is 2-(2-ethylbenzimidazol-1-yl)-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]acetamide.
What is the SMILES notation for 2-(2-ethylbenzimidazol-1-yl)-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]acetamide?
The canonical SMILES for 2-(2-ethylbenzimidazol-1-yl)-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]acetamide is CCc1nc2ccccc2n1CC(=O)NCCCN1CCN(C)CC1c1ccccc1.
What is the InChIKey of 2-(2-ethylbenzimidazol-1-yl)-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]acetamide?
The InChIKey is VBPCXPQWUQVONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O/c1-3-24-27-21-12-7-8-13-22(21)30(24)19-25(31)26-14-9-15-29-17-16-28(2)18-23(29)20-10-5-4-6-11-20/h4-8,10-13,23H,3,9,14-19H2,1-2H3,(H,26,31).
What are the key properties of 2-(2-ethylbenzimidazol-1-yl)-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]acetamide?
2-(2-ethylbenzimidazol-1-yl)-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]acetamide has a molecular weight of 419.57 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylbenzimidazol-1-yl)-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]acetamide is sourced from PubChem (CID 55620613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).