6-[2-(4-phenylpiperazin-1-yl)ethyl]-2-(pyridin-2-ylmethyl)-1H-benzimidazole

C25H27N5 — CID 10596972

IUPAC6-[2-(4-phenylpiperazin-1-yl)ethyl]-2-(pyridin-2-ylmethyl)-1H-benzimidazole
SMILESc1ccc(N2CCN(CCc3ccc4nc(Cc5ccccn5)[nH]c4c3)CC2)cc1
InChIInChI=1S/C25H27N5/c1-2-7-22(8-3-1)30-16-14-29(15-17-30)13-11-20-9-10-23-24(18-20)28-25(27-23)19-21-6-4-5-12-26-21/h1-10,12,18H,11,13-17,19H2,(H,27,28)
InChIKeyFKSFIEDYFSJRQD-UHFFFAOYSA-N
MW397.53 g/mol
LogP3.91
Rot. Bonds6

About 6-[2-(4-phenylpiperazin-1-yl)ethyl]-2-(pyridin-2-ylmethyl)-1H-benzimidazole

6-[2-(4-phenylpiperazin-1-yl)ethyl]-2-(pyridin-2-ylmethyl)-1H-benzimidazole (PubChem CID 10596972) has the molecular formula C25H27N5 and a molecular weight of 397.53 g/mol. Its IUPAC name is 6-[2-(4-phenylpiperazin-1-yl)ethyl]-2-(pyridin-2-ylmethyl)-1H-benzimidazole.

Molecular Properties

Compound Name6-[2-(4-phenylpiperazin-1-yl)ethyl]-2-(pyridin-2-ylmethyl)-1H-benzimidazole
PubChem CID10596972
Molecular FormulaC25H27N5
Molecular Weight397.53 g/mol
Exact Mass397.23
IUPAC Name6-[2-(4-phenylpiperazin-1-yl)ethyl]-2-(pyridin-2-ylmethyl)-1H-benzimidazole
SMILESc1ccc(N2CCN(CCc3ccc4nc(Cc5ccccn5)[nH]c4c3)CC2)cc1
InChIInChI=1S/C25H27N5/c1-2-7-22(8-3-1)30-16-14-29(15-17-30)13-11-20-9-10-23-24(18-20)28-25(27-23)19-21-6-4-5-12-26-21/h1-10,12,18H,11,13-17,19H2,(H,27,28)
InChIKeyFKSFIEDYFSJRQD-UHFFFAOYSA-N
XLogP3.91
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.53
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methylsulfonylmethyl)-6-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-benzimidazole
CID 102317477
6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-(methylsulfanylmethyl)-1H-benzimidazole
CID 10668472
1-phenyl-4-(pyridin-2-ylmethyl)piperazine
CID 1090338
2-ethyl-6-(2-piperazin-1-ylethyl)-1H-benzimidazole
CID 82500177
6-chloro-2-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1H-benzimidazole
CID 75510403
2-(methylsulfonylmethyl)-6-[2-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1H-benzimidazole
CID 102317486
2-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1H-benzimidazole
CID 11289781
2-[4-[2-(aminomethyl)-3H-benzimidazol-5-yl]piperazin-1-yl]ethanol
CID 83972438
6-[3-(4-phenylpiperazin-1-yl)propyl]-1,4-dihydroquinoxaline-2,3-dione
CID 11089822
3-[4-(2-phenylethyl)piperazin-1-yl]quinoline
CID 174498019
1-[4-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]phenyl]ethanone
CID 91843582
1-[2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl]-4-phenylpiperazine
CID 10788071

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-phenylpiperazin-1-yl)ethyl]-2-(pyridin-2-ylmethyl)-1H-benzimidazole?
The IUPAC name of 6-[2-(4-phenylpiperazin-1-yl)ethyl]-2-(pyridin-2-ylmethyl)-1H-benzimidazole (CID 10596972) is 6-[2-(4-phenylpiperazin-1-yl)ethyl]-2-(pyridin-2-ylmethyl)-1H-benzimidazole.
What is the SMILES notation for 6-[2-(4-phenylpiperazin-1-yl)ethyl]-2-(pyridin-2-ylmethyl)-1H-benzimidazole?
The canonical SMILES for 6-[2-(4-phenylpiperazin-1-yl)ethyl]-2-(pyridin-2-ylmethyl)-1H-benzimidazole is c1ccc(N2CCN(CCc3ccc4nc(Cc5ccccn5)[nH]c4c3)CC2)cc1.
What is the InChIKey of 6-[2-(4-phenylpiperazin-1-yl)ethyl]-2-(pyridin-2-ylmethyl)-1H-benzimidazole?
The InChIKey is FKSFIEDYFSJRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5/c1-2-7-22(8-3-1)30-16-14-29(15-17-30)13-11-20-9-10-23-24(18-20)28-25(27-23)19-21-6-4-5-12-26-21/h1-10,12,18H,11,13-17,19H2,(H,27,28).
What are the key properties of 6-[2-(4-phenylpiperazin-1-yl)ethyl]-2-(pyridin-2-ylmethyl)-1H-benzimidazole?
6-[2-(4-phenylpiperazin-1-yl)ethyl]-2-(pyridin-2-ylmethyl)-1H-benzimidazole has a molecular weight of 397.53 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-phenylpiperazin-1-yl)ethyl]-2-(pyridin-2-ylmethyl)-1H-benzimidazole is sourced from PubChem (CID 10596972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).