1-[[5-(1H-pyrrol-2-yl)-1H-imidazol-2-yl]methyl]piperazine

C12H17N5 — CID 116879807

IUPAC1-[[5-(1H-pyrrol-2-yl)-1H-imidazol-2-yl]methyl]piperazine
SMILESc1c[nH]c(-c2cnc(CN3CCNCC3)[nH]2)c1
InChIInChI=1S/C12H17N5/c1-2-10(14-3-1)11-8-15-12(16-11)9-17-6-4-13-5-7-17/h1-3,8,13-14H,4-7,9H2,(H,15,16)
InChIKeyPVVJERXKJHXBKZ-UHFFFAOYSA-N
MW231.30 g/mol
LogP0.81
Rot. Bonds3

About 1-[[5-(1H-pyrrol-2-yl)-1H-imidazol-2-yl]methyl]piperazine

1-[[5-(1H-pyrrol-2-yl)-1H-imidazol-2-yl]methyl]piperazine (PubChem CID 116879807) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-[[5-(1H-pyrrol-2-yl)-1H-imidazol-2-yl]methyl]piperazine.

Molecular Properties

Compound Name1-[[5-(1H-pyrrol-2-yl)-1H-imidazol-2-yl]methyl]piperazine
PubChem CID116879807
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name1-[[5-(1H-pyrrol-2-yl)-1H-imidazol-2-yl]methyl]piperazine
SMILESc1c[nH]c(-c2cnc(CN3CCNCC3)[nH]2)c1
InChIInChI=1S/C12H17N5/c1-2-10(14-3-1)11-8-15-12(16-11)9-17-6-4-13-5-7-17/h1-3,8,13-14H,4-7,9H2,(H,15,16)
InChIKeyPVVJERXKJHXBKZ-UHFFFAOYSA-N
XLogP0.81
TPSA59.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[5-(5-ethylthiophen-2-yl)-1H-imidazol-2-yl]methyl]piperazine
CID 61335164
1-methyl-3-[[5-(1H-pyrrol-2-yl)-1H-imidazol-2-yl]methyl]piperazine
CID 116881223
2-(azetidin-3-yl)-5-(1H-pyrrol-2-yl)-1H-imidazole
CID 116877459
1-[(5-phenyl-1H-imidazol-2-yl)methyl]-4-pyridin-2-ylpiperazine
CID 10193294
3-methyl-5-(piperazin-1-ylmethyl)imidazo[1,5-a]pyridine
CID 83840549
1-[[6-(piperazin-1-ylmethyl)-2-pyridinyl]methyl]piperazine;tetrahydrochloride
CID 18770451
5-(piperazin-1-ylmethyl)pyrazin-2-amine
CID 117213222
piperazine;1-(pyridin-2-ylmethyl)piperazine
CID 174820345
1-[(5-propan-2-yl-2-pyridinyl)methyl]piperazine
CID 138459736
3-piperazin-1-yl-1-(1H-pyrrol-2-yl)propan-1-amine
CID 116939912
azane;1-benzylpiperazine
CID 174866973
1,7-bis[(6-chloro-3-pyridinyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 102314847

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(1H-pyrrol-2-yl)-1H-imidazol-2-yl]methyl]piperazine?
The IUPAC name of 1-[[5-(1H-pyrrol-2-yl)-1H-imidazol-2-yl]methyl]piperazine (CID 116879807) is 1-[[5-(1H-pyrrol-2-yl)-1H-imidazol-2-yl]methyl]piperazine.
What is the SMILES notation for 1-[[5-(1H-pyrrol-2-yl)-1H-imidazol-2-yl]methyl]piperazine?
The canonical SMILES for 1-[[5-(1H-pyrrol-2-yl)-1H-imidazol-2-yl]methyl]piperazine is c1c[nH]c(-c2cnc(CN3CCNCC3)[nH]2)c1.
What is the InChIKey of 1-[[5-(1H-pyrrol-2-yl)-1H-imidazol-2-yl]methyl]piperazine?
The InChIKey is PVVJERXKJHXBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-2-10(14-3-1)11-8-15-12(16-11)9-17-6-4-13-5-7-17/h1-3,8,13-14H,4-7,9H2,(H,15,16).
What are the key properties of 1-[[5-(1H-pyrrol-2-yl)-1H-imidazol-2-yl]methyl]piperazine?
1-[[5-(1H-pyrrol-2-yl)-1H-imidazol-2-yl]methyl]piperazine has a molecular weight of 231.30 g/mol, XLogP of 0.81, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(1H-pyrrol-2-yl)-1H-imidazol-2-yl]methyl]piperazine is sourced from PubChem (CID 116879807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).