1-methyl-2-[[5-(1H-pyrrol-3-yl)-1H-imidazol-2-yl]methyl]piperazine

C13H19N5 — CID 116881246

IUPAC1-methyl-2-[[5-(1H-pyrrol-3-yl)-1H-imidazol-2-yl]methyl]piperazine
SMILESCN1CCNCC1Cc1ncc(-c2cc[nH]c2)[nH]1
InChIInChI=1S/C13H19N5/c1-18-5-4-15-8-11(18)6-13-16-9-12(17-13)10-2-3-14-7-10/h2-3,7,9,11,14-15H,4-6,8H2,1H3,(H,16,17)
InChIKeyFVALHVNQKYPLME-UHFFFAOYSA-N
MW245.33 g/mol
LogP0.85
Rot. Bonds3

About 1-methyl-2-[[5-(1H-pyrrol-3-yl)-1H-imidazol-2-yl]methyl]piperazine

1-methyl-2-[[5-(1H-pyrrol-3-yl)-1H-imidazol-2-yl]methyl]piperazine (PubChem CID 116881246) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-methyl-2-[[5-(1H-pyrrol-3-yl)-1H-imidazol-2-yl]methyl]piperazine.

Molecular Properties

Compound Name1-methyl-2-[[5-(1H-pyrrol-3-yl)-1H-imidazol-2-yl]methyl]piperazine
PubChem CID116881246
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name1-methyl-2-[[5-(1H-pyrrol-3-yl)-1H-imidazol-2-yl]methyl]piperazine
SMILESCN1CCNCC1Cc1ncc(-c2cc[nH]c2)[nH]1
InChIInChI=1S/C13H19N5/c1-18-5-4-15-8-11(18)6-13-16-9-12(17-13)10-2-3-14-7-10/h2-3,7,9,11,14-15H,4-6,8H2,1H3,(H,16,17)
InChIKeyFVALHVNQKYPLME-UHFFFAOYSA-N
XLogP0.85
TPSA59.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-2-[5-(1H-pyrrol-3-yl)-1H-imidazol-2-yl]piperazine
CID 116881089
2-(chloromethyl)-5-(1H-pyrrol-3-yl)-1H-imidazole
CID 116878077
2-benzyl-5-(1H-pyrrol-3-yl)-1H-imidazole
CID 142780374
2-methyl-N-[(1-methylpiperazin-2-yl)methyl]-2-(1H-pyrrol-3-yl)propan-1-amine
CID 115238521
2-[(4-ethoxyphenyl)methyl]-1-methylpiperazine
CID 116928023
2-[(1-methylpiperazin-2-yl)methyl]-4-pyridin-3-ylpyrimidine
CID 116901957
[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]piperazin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone
CID 67158479
(2R)-2-[(3,4-dimethylphenyl)methyl]-1-methylpiperazine
CID 95442733
1-methyl-2-[(2,3,4-trimethylphenyl)methyl]piperazine
CID 116928083
6-[(1-methylpiperazin-2-yl)methyl]-1H-benzimidazole
CID 116928065
1-methyl-2-[(4-pyrrolidin-3-ylphenyl)methyl]piperazine
CID 116988478
(2S)-2-[(3,4-dimethylphenyl)methyl]-1-methylpiperazine;dihydrochloride
CID 154574727

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[[5-(1H-pyrrol-3-yl)-1H-imidazol-2-yl]methyl]piperazine?
The IUPAC name of 1-methyl-2-[[5-(1H-pyrrol-3-yl)-1H-imidazol-2-yl]methyl]piperazine (CID 116881246) is 1-methyl-2-[[5-(1H-pyrrol-3-yl)-1H-imidazol-2-yl]methyl]piperazine.
What is the SMILES notation for 1-methyl-2-[[5-(1H-pyrrol-3-yl)-1H-imidazol-2-yl]methyl]piperazine?
The canonical SMILES for 1-methyl-2-[[5-(1H-pyrrol-3-yl)-1H-imidazol-2-yl]methyl]piperazine is CN1CCNCC1Cc1ncc(-c2cc[nH]c2)[nH]1.
What is the InChIKey of 1-methyl-2-[[5-(1H-pyrrol-3-yl)-1H-imidazol-2-yl]methyl]piperazine?
The InChIKey is FVALHVNQKYPLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-18-5-4-15-8-11(18)6-13-16-9-12(17-13)10-2-3-14-7-10/h2-3,7,9,11,14-15H,4-6,8H2,1H3,(H,16,17).
What are the key properties of 1-methyl-2-[[5-(1H-pyrrol-3-yl)-1H-imidazol-2-yl]methyl]piperazine?
1-methyl-2-[[5-(1H-pyrrol-3-yl)-1H-imidazol-2-yl]methyl]piperazine has a molecular weight of 245.33 g/mol, XLogP of 0.85, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[[5-(1H-pyrrol-3-yl)-1H-imidazol-2-yl]methyl]piperazine is sourced from PubChem (CID 116881246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).