2-(1,5-dimethylimidazol-4-yl)-2-(4-methylpiperazin-1-yl)acetic acid

C12H20N4O2 — CID 84742102

IUPAC2-(1,5-dimethylimidazol-4-yl)-2-(4-methylpiperazin-1-yl)acetic acid
SMILESCc1c(C(C(=O)O)N2CCN(C)CC2)ncn1C
InChIInChI=1S/C12H20N4O2/c1-9-10(13-8-15(9)3)11(12(17)18)16-6-4-14(2)5-7-16/h8,11H,4-7H2,1-3H3,(H,17,18)
InChIKeyOIHRTUMEROUYOO-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.10
Rot. Bonds3

About 2-(1,5-dimethylimidazol-4-yl)-2-(4-methylpiperazin-1-yl)acetic acid

2-(1,5-dimethylimidazol-4-yl)-2-(4-methylpiperazin-1-yl)acetic acid (PubChem CID 84742102) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-(1,5-dimethylimidazol-4-yl)-2-(4-methylpiperazin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(1,5-dimethylimidazol-4-yl)-2-(4-methylpiperazin-1-yl)acetic acid
PubChem CID84742102
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name2-(1,5-dimethylimidazol-4-yl)-2-(4-methylpiperazin-1-yl)acetic acid
SMILESCc1c(C(C(=O)O)N2CCN(C)CC2)ncn1C
InChIInChI=1S/C12H20N4O2/c1-9-10(13-8-15(9)3)11(12(17)18)16-6-4-14(2)5-7-16/h8,11H,4-7H2,1-3H3,(H,17,18)
InChIKeyOIHRTUMEROUYOO-UHFFFAOYSA-N
XLogP0.10
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-bis(1,5-dimethylimidazol-4-yl)pentan-3-one
CID 174379942
2-(5-bromo-3-methylimidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetic acid
CID 84745344
2-(5-methyl-1H-imidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetic acid
CID 84742953
2-pyrrolidin-1-yl-2-(1,2,5-trimethylimidazol-4-yl)acetic acid
CID 84741178
2-(5-methyl-1H-imidazol-4-yl)-2-pyrrolidin-1-ylacetic acid
CID 84739922
2-(1-methylimidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetic acid
CID 84742959
2-(4-methylpiperazin-1-yl)-2-[4-(trifluoromethoxy)phenyl]acetic acid
CID 59570503
2-(3-bromothiophen-2-yl)-2-(4-methylpiperazin-1-yl)acetic acid
CID 115381023
2-(4-cyclopropylphenyl)-2-(4-methylpiperazin-1-yl)acetic acid
CID 79980662
2-(5-chloro-3-methyl-2-phenylimidazol-4-yl)-2-(4-methylpiperazin-1-yl)acetic acid
CID 84745452
2-(1,5-dimethyl-2-phenylimidazol-4-yl)-2-pyrrolidin-1-ylacetic acid
CID 84744024
2-(3,5-dichloro-4-ethoxyphenyl)-2-(4-methylpiperazin-1-yl)acetic acid
CID 112540416

Frequently Asked Questions

What is the IUPAC name of 2-(1,5-dimethylimidazol-4-yl)-2-(4-methylpiperazin-1-yl)acetic acid?
The IUPAC name of 2-(1,5-dimethylimidazol-4-yl)-2-(4-methylpiperazin-1-yl)acetic acid (CID 84742102) is 2-(1,5-dimethylimidazol-4-yl)-2-(4-methylpiperazin-1-yl)acetic acid.
What is the SMILES notation for 2-(1,5-dimethylimidazol-4-yl)-2-(4-methylpiperazin-1-yl)acetic acid?
The canonical SMILES for 2-(1,5-dimethylimidazol-4-yl)-2-(4-methylpiperazin-1-yl)acetic acid is Cc1c(C(C(=O)O)N2CCN(C)CC2)ncn1C.
What is the InChIKey of 2-(1,5-dimethylimidazol-4-yl)-2-(4-methylpiperazin-1-yl)acetic acid?
The InChIKey is OIHRTUMEROUYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-9-10(13-8-15(9)3)11(12(17)18)16-6-4-14(2)5-7-16/h8,11H,4-7H2,1-3H3,(H,17,18).
What are the key properties of 2-(1,5-dimethylimidazol-4-yl)-2-(4-methylpiperazin-1-yl)acetic acid?
2-(1,5-dimethylimidazol-4-yl)-2-(4-methylpiperazin-1-yl)acetic acid has a molecular weight of 252.32 g/mol, XLogP of 0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5-dimethylimidazol-4-yl)-2-(4-methylpiperazin-1-yl)acetic acid is sourced from PubChem (CID 84742102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).