N-[2-(1,4-dimethylpiperazin-2-yl)-1H-benzimidazol-4-yl]formamide

C14H19N5O — CID 57177667

IUPACN-[2-(1,4-dimethylpiperazin-2-yl)-1H-benzimidazol-4-yl]formamide
SMILESCN1CCN(C)C(c2nc3c(NC=O)cccc3[nH]2)C1
InChIInChI=1S/C14H19N5O/c1-18-6-7-19(2)12(8-18)14-16-11-5-3-4-10(15-9-20)13(11)17-14/h3-5,9,12H,6-8H2,1-2H3,(H,15,20)(H,16,17)
InChIKeyLXXDAUYQAPOYID-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.05
Rot. Bonds3

About N-[2-(1,4-dimethylpiperazin-2-yl)-1H-benzimidazol-4-yl]formamide

N-[2-(1,4-dimethylpiperazin-2-yl)-1H-benzimidazol-4-yl]formamide (PubChem CID 57177667) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[2-(1,4-dimethylpiperazin-2-yl)-1H-benzimidazol-4-yl]formamide.

Molecular Properties

Compound NameN-[2-(1,4-dimethylpiperazin-2-yl)-1H-benzimidazol-4-yl]formamide
PubChem CID57177667
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC NameN-[2-(1,4-dimethylpiperazin-2-yl)-1H-benzimidazol-4-yl]formamide
SMILESCN1CCN(C)C(c2nc3c(NC=O)cccc3[nH]2)C1
InChIInChI=1S/C14H19N5O/c1-18-6-7-19(2)12(8-18)14-16-11-5-3-4-10(15-9-20)13(11)17-14/h3-5,9,12H,6-8H2,1-2H3,(H,15,20)(H,16,17)
InChIKeyLXXDAUYQAPOYID-UHFFFAOYSA-N
XLogP1.05
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,4-dimethylpiperazin-2-yl)-1H-benzimidazol-4-yl]formamide?
The IUPAC name of N-[2-(1,4-dimethylpiperazin-2-yl)-1H-benzimidazol-4-yl]formamide (CID 57177667) is N-[2-(1,4-dimethylpiperazin-2-yl)-1H-benzimidazol-4-yl]formamide.
What is the SMILES notation for N-[2-(1,4-dimethylpiperazin-2-yl)-1H-benzimidazol-4-yl]formamide?
The canonical SMILES for N-[2-(1,4-dimethylpiperazin-2-yl)-1H-benzimidazol-4-yl]formamide is CN1CCN(C)C(c2nc3c(NC=O)cccc3[nH]2)C1.
What is the InChIKey of N-[2-(1,4-dimethylpiperazin-2-yl)-1H-benzimidazol-4-yl]formamide?
The InChIKey is LXXDAUYQAPOYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-18-6-7-19(2)12(8-18)14-16-11-5-3-4-10(15-9-20)13(11)17-14/h3-5,9,12H,6-8H2,1-2H3,(H,15,20)(H,16,17).
What are the key properties of N-[2-(1,4-dimethylpiperazin-2-yl)-1H-benzimidazol-4-yl]formamide?
N-[2-(1,4-dimethylpiperazin-2-yl)-1H-benzimidazol-4-yl]formamide has a molecular weight of 273.34 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,4-dimethylpiperazin-2-yl)-1H-benzimidazol-4-yl]formamide is sourced from PubChem (CID 57177667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).