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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Related Compounds

CID 25166913
CID 25166913
CID 11984
CID 11984
CID 22122
CID 22122
CID 15807
CID 15807
CID 145820
CID 145820
CID 162387
CID 162387
CID 10252009
CID 10252009
CID 21624
CID 21624
CID 109017
CID 109017
CID 715810
CID 715810
CID 32346
CID 32346
CID 542828
CID 542828

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).