2-(1,4-dimethylpiperazin-2-yl)-1H-benzimidazole-4-carboxamide

C14H19N5O — CID 18428266

IUPAC2-(1,4-dimethylpiperazin-2-yl)-1H-benzimidazole-4-carboxamide
SMILESCN1CCN(C)C(c2nc3c(C(N)=O)cccc3[nH]2)C1
InChIInChI=1S/C14H19N5O/c1-18-6-7-19(2)11(8-18)14-16-10-5-3-4-9(13(15)20)12(10)17-14/h3-5,11H,6-8H2,1-2H3,(H2,15,20)(H,16,17)
InChIKeyJTXIYMSDKKWBBD-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.58
Rot. Bonds2

About 2-(1,4-dimethylpiperazin-2-yl)-1H-benzimidazole-4-carboxamide

2-(1,4-dimethylpiperazin-2-yl)-1H-benzimidazole-4-carboxamide (PubChem CID 18428266) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-(1,4-dimethylpiperazin-2-yl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(1,4-dimethylpiperazin-2-yl)-1H-benzimidazole-4-carboxamide
PubChem CID18428266
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name2-(1,4-dimethylpiperazin-2-yl)-1H-benzimidazole-4-carboxamide
SMILESCN1CCN(C)C(c2nc3c(C(N)=O)cccc3[nH]2)C1
InChIInChI=1S/C14H19N5O/c1-18-6-7-19(2)11(8-18)14-16-10-5-3-4-9(13(15)20)12(10)17-14/h3-5,11H,6-8H2,1-2H3,(H2,15,20)(H,16,17)
InChIKeyJTXIYMSDKKWBBD-UHFFFAOYSA-N
XLogP0.58
TPSA78.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dimethylpiperazin-2-yl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-(1,4-dimethylpiperazin-2-yl)-1H-benzimidazole-4-carboxamide (CID 18428266) is 2-(1,4-dimethylpiperazin-2-yl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-(1,4-dimethylpiperazin-2-yl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-(1,4-dimethylpiperazin-2-yl)-1H-benzimidazole-4-carboxamide is CN1CCN(C)C(c2nc3c(C(N)=O)cccc3[nH]2)C1.
What is the InChIKey of 2-(1,4-dimethylpiperazin-2-yl)-1H-benzimidazole-4-carboxamide?
The InChIKey is JTXIYMSDKKWBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-18-6-7-19(2)11(8-18)14-16-10-5-3-4-9(13(15)20)12(10)17-14/h3-5,11H,6-8H2,1-2H3,(H2,15,20)(H,16,17).
What are the key properties of 2-(1,4-dimethylpiperazin-2-yl)-1H-benzimidazole-4-carboxamide?
2-(1,4-dimethylpiperazin-2-yl)-1H-benzimidazole-4-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dimethylpiperazin-2-yl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 18428266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).