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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).