2-[[4-(3-cyclopentylpropanoyl)piperazin-1-yl]methyl]-N,N,1-trimethylbenzimidazole-5-carboxamide

C24H35N5O2 — CID 50822515

IUPAC2-[[4-(3-cyclopentylpropanoyl)piperazin-1-yl]methyl]-N,N,1-trimethylbenzimidazole-5-carboxamide
SMILESCN(C)C(=O)c1ccc2c(c1)nc(CN1CCN(C(=O)CCC3CCCC3)CC1)n2C
InChIInChI=1S/C24H35N5O2/c1-26(2)24(31)19-9-10-21-20(16-19)25-22(27(21)3)17-28-12-14-29(15-13-28)23(30)11-8-18-6-4-5-7-18/h9-10,16,18H,4-8,11-15,17H2,1-3H3
InChIKeyVFPTXKHJRSWYQJ-UHFFFAOYSA-N
MW425.58 g/mol
LogP2.89
Rot. Bonds6

About 2-[[4-(3-cyclopentylpropanoyl)piperazin-1-yl]methyl]-N,N,1-trimethylbenzimidazole-5-carboxamide

2-[[4-(3-cyclopentylpropanoyl)piperazin-1-yl]methyl]-N,N,1-trimethylbenzimidazole-5-carboxamide (PubChem CID 50822515) has the molecular formula C24H35N5O2 and a molecular weight of 425.58 g/mol. Its IUPAC name is 2-[[4-(3-cyclopentylpropanoyl)piperazin-1-yl]methyl]-N,N,1-trimethylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[[4-(3-cyclopentylpropanoyl)piperazin-1-yl]methyl]-N,N,1-trimethylbenzimidazole-5-carboxamide
PubChem CID50822515
Molecular FormulaC24H35N5O2
Molecular Weight425.58 g/mol
Exact Mass425.28
IUPAC Name2-[[4-(3-cyclopentylpropanoyl)piperazin-1-yl]methyl]-N,N,1-trimethylbenzimidazole-5-carboxamide
SMILESCN(C)C(=O)c1ccc2c(c1)nc(CN1CCN(C(=O)CCC3CCCC3)CC1)n2C
InChIInChI=1S/C24H35N5O2/c1-26(2)24(31)19-9-10-21-20(16-19)25-22(27(21)3)17-28-12-14-29(15-13-28)23(30)11-8-18-6-4-5-7-18/h9-10,16,18H,4-8,11-15,17H2,1-3H3
InChIKeyVFPTXKHJRSWYQJ-UHFFFAOYSA-N
XLogP2.89
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.58
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3-cyclopentylpropanoyl)piperazin-1-yl]methyl]-N,N,1-trimethylbenzimidazole-5-carboxamide?
The IUPAC name of 2-[[4-(3-cyclopentylpropanoyl)piperazin-1-yl]methyl]-N,N,1-trimethylbenzimidazole-5-carboxamide (CID 50822515) is 2-[[4-(3-cyclopentylpropanoyl)piperazin-1-yl]methyl]-N,N,1-trimethylbenzimidazole-5-carboxamide.
What is the SMILES notation for 2-[[4-(3-cyclopentylpropanoyl)piperazin-1-yl]methyl]-N,N,1-trimethylbenzimidazole-5-carboxamide?
The canonical SMILES for 2-[[4-(3-cyclopentylpropanoyl)piperazin-1-yl]methyl]-N,N,1-trimethylbenzimidazole-5-carboxamide is CN(C)C(=O)c1ccc2c(c1)nc(CN1CCN(C(=O)CCC3CCCC3)CC1)n2C.
What is the InChIKey of 2-[[4-(3-cyclopentylpropanoyl)piperazin-1-yl]methyl]-N,N,1-trimethylbenzimidazole-5-carboxamide?
The InChIKey is VFPTXKHJRSWYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5O2/c1-26(2)24(31)19-9-10-21-20(16-19)25-22(27(21)3)17-28-12-14-29(15-13-28)23(30)11-8-18-6-4-5-7-18/h9-10,16,18H,4-8,11-15,17H2,1-3H3.
What are the key properties of 2-[[4-(3-cyclopentylpropanoyl)piperazin-1-yl]methyl]-N,N,1-trimethylbenzimidazole-5-carboxamide?
2-[[4-(3-cyclopentylpropanoyl)piperazin-1-yl]methyl]-N,N,1-trimethylbenzimidazole-5-carboxamide has a molecular weight of 425.58 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3-cyclopentylpropanoyl)piperazin-1-yl]methyl]-N,N,1-trimethylbenzimidazole-5-carboxamide is sourced from PubChem (CID 50822515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).