2-piperazin-1-yl-1-propan-2-ylbenzimidazole

C14H20N4 — CID 22636223

IUPAC2-piperazin-1-yl-1-propan-2-ylbenzimidazole
SMILESCC(C)n1c(N2CCNCC2)nc2ccccc21
InChIInChI=1S/C14H20N4/c1-11(2)18-13-6-4-3-5-12(13)16-14(18)17-9-7-15-8-10-17/h3-6,11,15H,7-10H2,1-2H3
InChIKeyQGMIJFVQCSAJFX-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.03
Rot. Bonds2

About 2-piperazin-1-yl-1-propan-2-ylbenzimidazole

2-piperazin-1-yl-1-propan-2-ylbenzimidazole (PubChem CID 22636223) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-piperazin-1-yl-1-propan-2-ylbenzimidazole.

Molecular Properties

Compound Name2-piperazin-1-yl-1-propan-2-ylbenzimidazole
PubChem CID22636223
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name2-piperazin-1-yl-1-propan-2-ylbenzimidazole
SMILESCC(C)n1c(N2CCNCC2)nc2ccccc21
InChIInChI=1S/C14H20N4/c1-11(2)18-13-6-4-3-5-12(13)16-14(18)17-9-7-15-8-10-17/h3-6,11,15H,7-10H2,1-2H3
InChIKeyQGMIJFVQCSAJFX-UHFFFAOYSA-N
XLogP2.03
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Benzimidazole
CID 5798
Benomyl
CID 28780
2-Aminobenzimidazole
CID 13624
Lerisetron
CID 65997
2-Methylbenzimidazole
CID 11984
Benzimidazole, 2-butyl-
CID 22122
2-Ethylbenzimidazole
CID 15807
Tecastemizole
CID 123618
1H-Benzimidazole-2-methanamine
CID 145820
2-amino-1-((4-fluorophenyl)methyl)-1H-benzimidazole
CID 3019305
Thiophanate-methyl metabolite M10
CID 135727399
2-((4-pyridin-2-ylpiperazine-1-yl)methyl)-1H-benzimidazole
CID 5025739

Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-1-propan-2-ylbenzimidazole?
The IUPAC name of 2-piperazin-1-yl-1-propan-2-ylbenzimidazole (CID 22636223) is 2-piperazin-1-yl-1-propan-2-ylbenzimidazole.
What is the SMILES notation for 2-piperazin-1-yl-1-propan-2-ylbenzimidazole?
The canonical SMILES for 2-piperazin-1-yl-1-propan-2-ylbenzimidazole is CC(C)n1c(N2CCNCC2)nc2ccccc21.
What is the InChIKey of 2-piperazin-1-yl-1-propan-2-ylbenzimidazole?
The InChIKey is QGMIJFVQCSAJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-11(2)18-13-6-4-3-5-12(13)16-14(18)17-9-7-15-8-10-17/h3-6,11,15H,7-10H2,1-2H3.
What are the key properties of 2-piperazin-1-yl-1-propan-2-ylbenzimidazole?
2-piperazin-1-yl-1-propan-2-ylbenzimidazole has a molecular weight of 244.34 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-1-propan-2-ylbenzimidazole is sourced from PubChem (CID 22636223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).