2-[(4-methylpiperazin-1-yl)methyl]-1H-imidazole-5-carboxylic acid

C10H16N4O2 — CID 117187185

IUPAC2-[(4-methylpiperazin-1-yl)methyl]-1H-imidazole-5-carboxylic acid
SMILESCN1CCN(Cc2ncc(C(=O)O)[nH]2)CC1
InChIInChI=1S/C10H16N4O2/c1-13-2-4-14(5-3-13)7-9-11-6-8(12-9)10(15)16/h6H,2-5,7H2,1H3,(H,11,12)(H,15,16)
InChIKeyAOZMPNVHTQDOBL-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.14
Rot. Bonds3

About 2-[(4-methylpiperazin-1-yl)methyl]-1H-imidazole-5-carboxylic acid

2-[(4-methylpiperazin-1-yl)methyl]-1H-imidazole-5-carboxylic acid (PubChem CID 117187185) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-[(4-methylpiperazin-1-yl)methyl]-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[(4-methylpiperazin-1-yl)methyl]-1H-imidazole-5-carboxylic acid
PubChem CID117187185
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name2-[(4-methylpiperazin-1-yl)methyl]-1H-imidazole-5-carboxylic acid
SMILESCN1CCN(Cc2ncc(C(=O)O)[nH]2)CC1
InChIInChI=1S/C10H16N4O2/c1-13-2-4-14(5-3-13)7-9-11-6-8(12-9)10(15)16/h6H,2-5,7H2,1H3,(H,11,12)(H,15,16)
InChIKeyAOZMPNVHTQDOBL-UHFFFAOYSA-N
XLogP-0.14
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylpiperazin-1-yl)methyl]-1H-imidazole-5-carboxylic acid?
The IUPAC name of 2-[(4-methylpiperazin-1-yl)methyl]-1H-imidazole-5-carboxylic acid (CID 117187185) is 2-[(4-methylpiperazin-1-yl)methyl]-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 2-[(4-methylpiperazin-1-yl)methyl]-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 2-[(4-methylpiperazin-1-yl)methyl]-1H-imidazole-5-carboxylic acid is CN1CCN(Cc2ncc(C(=O)O)[nH]2)CC1.
What is the InChIKey of 2-[(4-methylpiperazin-1-yl)methyl]-1H-imidazole-5-carboxylic acid?
The InChIKey is AOZMPNVHTQDOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-13-2-4-14(5-3-13)7-9-11-6-8(12-9)10(15)16/h6H,2-5,7H2,1H3,(H,11,12)(H,15,16).
What are the key properties of 2-[(4-methylpiperazin-1-yl)methyl]-1H-imidazole-5-carboxylic acid?
2-[(4-methylpiperazin-1-yl)methyl]-1H-imidazole-5-carboxylic acid has a molecular weight of 224.26 g/mol, XLogP of -0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylpiperazin-1-yl)methyl]-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 117187185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).