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

C13H19N5 — CID 116881223

IUPAC1-methyl-3-[[5-(1H-pyrrol-2-yl)-1H-imidazol-2-yl]methyl]piperazine
SMILESCN1CCNC(Cc2ncc(-c3ccc[nH]3)[nH]2)C1
InChIInChI=1S/C13H19N5/c1-18-6-5-14-10(9-18)7-13-16-8-12(17-13)11-3-2-4-15-11/h2-4,8,10,14-15H,5-7,9H2,1H3,(H,16,17)
InChIKeyVPRIWWNFKGMVJV-UHFFFAOYSA-N
MW245.33 g/mol
LogP0.85
Rot. Bonds3

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

1-methyl-3-[[5-(1H-pyrrol-2-yl)-1H-imidazol-2-yl]methyl]piperazine (PubChem CID 116881223) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-methyl-3-[[5-(1H-pyrrol-2-yl)-1H-imidazol-2-yl]methyl]piperazine.

Molecular Properties

Compound Name1-methyl-3-[[5-(1H-pyrrol-2-yl)-1H-imidazol-2-yl]methyl]piperazine
PubChem CID116881223
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name1-methyl-3-[[5-(1H-pyrrol-2-yl)-1H-imidazol-2-yl]methyl]piperazine
SMILESCN1CCNC(Cc2ncc(-c3ccc[nH]3)[nH]2)C1
InChIInChI=1S/C13H19N5/c1-18-6-5-14-10(9-18)7-13-16-8-12(17-13)11-3-2-4-15-11/h2-4,8,10,14-15H,5-7,9H2,1H3,(H,16,17)
InChIKeyVPRIWWNFKGMVJV-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

3-[[5-(2-bromophenyl)-1H-imidazol-2-yl]methyl]-1-methylpiperazine
CID 116881233
1-methyl-3-[(5-propyl-1H-imidazol-2-yl)methyl]piperazine
CID 116881215
1-[[5-(1H-pyrrol-2-yl)-1H-imidazol-2-yl]methyl]piperazine
CID 116879807
1-methyl-3-(1H-pyrrol-3-ylmethyl)piperazine
CID 116928127
N-methyl-1-(4-methylpiperazin-2-yl)-N-(1H-pyrrol-2-ylmethyl)methanamine
CID 115238718
1-methyl-3-[(1-methylimidazol-2-yl)methyl]piperazine
CID 83443620
3-[(2,4-dimethylphenyl)methyl]-1-methylpiperazine
CID 82285679
1-methyl-3-(5-phenyl-1H-imidazol-2-yl)piperazine
CID 116881118
1-methyl-3-[5-(3-methylphenyl)-1H-imidazol-2-yl]piperazine
CID 116881129
7-methyl-3-[(4-methylpiperazin-2-yl)methyl]-1H-indole
CID 84630932
3-[(4-methoxyphenyl)methyl]-1-methylpiperazine
CID 82286365
2-methyl-N-[(4-methylpiperazin-2-yl)methyl]-2-pyridin-3-ylpropan-1-amine
CID 115238821

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[[5-(1H-pyrrol-2-yl)-1H-imidazol-2-yl]methyl]piperazine?
The IUPAC name of 1-methyl-3-[[5-(1H-pyrrol-2-yl)-1H-imidazol-2-yl]methyl]piperazine (CID 116881223) is 1-methyl-3-[[5-(1H-pyrrol-2-yl)-1H-imidazol-2-yl]methyl]piperazine.
What is the SMILES notation for 1-methyl-3-[[5-(1H-pyrrol-2-yl)-1H-imidazol-2-yl]methyl]piperazine?
The canonical SMILES for 1-methyl-3-[[5-(1H-pyrrol-2-yl)-1H-imidazol-2-yl]methyl]piperazine is CN1CCNC(Cc2ncc(-c3ccc[nH]3)[nH]2)C1.
What is the InChIKey of 1-methyl-3-[[5-(1H-pyrrol-2-yl)-1H-imidazol-2-yl]methyl]piperazine?
The InChIKey is VPRIWWNFKGMVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-18-6-5-14-10(9-18)7-13-16-8-12(17-13)11-3-2-4-15-11/h2-4,8,10,14-15H,5-7,9H2,1H3,(H,16,17).
What are the key properties of 1-methyl-3-[[5-(1H-pyrrol-2-yl)-1H-imidazol-2-yl]methyl]piperazine?
1-methyl-3-[[5-(1H-pyrrol-2-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-3-[[5-(1H-pyrrol-2-yl)-1H-imidazol-2-yl]methyl]piperazine is sourced from PubChem (CID 116881223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).