2-(2-piperazin-1-ylethyl)-3H-benzo[e]benzimidazole

C17H20N4 — CID 86158604

IUPAC2-(2-piperazin-1-ylethyl)-3H-benzo[e]benzimidazole
SMILESc1ccc2c(c1)ccc1[nH]c(CCN3CCNCC3)nc12
InChIInChI=1S/C17H20N4/c1-2-4-14-13(3-1)5-6-15-17(14)20-16(19-15)7-10-21-11-8-18-9-12-21/h1-6,18H,7-12H2,(H,19,20)
InChIKeyDJMJNAWNMLKERF-UHFFFAOYSA-N
MW280.38 g/mol
LogP2.16
Rot. Bonds3

About 2-(2-piperazin-1-ylethyl)-3H-benzo[e]benzimidazole

2-(2-piperazin-1-ylethyl)-3H-benzo[e]benzimidazole (PubChem CID 86158604) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is 2-(2-piperazin-1-ylethyl)-3H-benzo[e]benzimidazole.

Molecular Properties

Compound Name2-(2-piperazin-1-ylethyl)-3H-benzo[e]benzimidazole
PubChem CID86158604
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC Name2-(2-piperazin-1-ylethyl)-3H-benzo[e]benzimidazole
SMILESc1ccc2c(c1)ccc1[nH]c(CCN3CCNCC3)nc12
InChIInChI=1S/C17H20N4/c1-2-4-14-13(3-1)5-6-15-17(14)20-16(19-15)7-10-21-11-8-18-9-12-21/h1-6,18H,7-12H2,(H,19,20)
InChIKeyDJMJNAWNMLKERF-UHFFFAOYSA-N
XLogP2.16
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-piperazin-1-ylethyl)-1H-benzimidazole
CID 82474562
1-(2-piperazin-1-ylethyl)benzo[e][1,2]benzoxazole
CID 39097852
2-methyl-3-(2-piperazin-1-ylethyl)-1H-indole
CID 82279050
4,5-difluoro-2-(piperazin-1-ylmethyl)-1H-benzimidazole
CID 112556569
bis(1-(2-phenylethyl)piperazine);dihydrochloride
CID 102602644
1-(8-phenyloctyl)-1,4,7,10-tetrazacyclododecane
CID 137439180
3-(3-piperazin-1-ylpropyl)isoquinoline
CID 170868308
3-(4-piperazin-1-ylbutyl)-1H-indole
CID 95465204
2-ethyl-6-(2-piperazin-1-ylethyl)-1H-benzimidazole
CID 82500177
5-(2-piperazin-1-ylethyl)isoquinoline
CID 117355834
1-(2-pyridin-2-ylethyl)-1,4-diazepane
CID 8022497
1-(2-hydroxynaphthalen-1-yl)-3-piperazin-1-ylpropan-1-one
CID 82263022

Frequently Asked Questions

What is the IUPAC name of 2-(2-piperazin-1-ylethyl)-3H-benzo[e]benzimidazole?
The IUPAC name of 2-(2-piperazin-1-ylethyl)-3H-benzo[e]benzimidazole (CID 86158604) is 2-(2-piperazin-1-ylethyl)-3H-benzo[e]benzimidazole.
What is the SMILES notation for 2-(2-piperazin-1-ylethyl)-3H-benzo[e]benzimidazole?
The canonical SMILES for 2-(2-piperazin-1-ylethyl)-3H-benzo[e]benzimidazole is c1ccc2c(c1)ccc1[nH]c(CCN3CCNCC3)nc12.
What is the InChIKey of 2-(2-piperazin-1-ylethyl)-3H-benzo[e]benzimidazole?
The InChIKey is DJMJNAWNMLKERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-2-4-14-13(3-1)5-6-15-17(14)20-16(19-15)7-10-21-11-8-18-9-12-21/h1-6,18H,7-12H2,(H,19,20).
What are the key properties of 2-(2-piperazin-1-ylethyl)-3H-benzo[e]benzimidazole?
2-(2-piperazin-1-ylethyl)-3H-benzo[e]benzimidazole has a molecular weight of 280.38 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-piperazin-1-ylethyl)-3H-benzo[e]benzimidazole is sourced from PubChem (CID 86158604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).