(2-methyl-1H-imidazol-5-yl)-(3,3,4-trimethylpiperazin-1-yl)methanone

C12H20N4O — CID 144817234

IUPAC(2-methyl-1H-imidazol-5-yl)-(3,3,4-trimethylpiperazin-1-yl)methanone
SMILESCc1ncc(C(=O)N2CCN(C)C(C)(C)C2)[nH]1
InChIInChI=1S/C12H20N4O/c1-9-13-7-10(14-9)11(17)16-6-5-15(4)12(2,3)8-16/h7H,5-6,8H2,1-4H3,(H,13,14)
InChIKeyDZSMGGPCVQYDQQ-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.88
Rot. Bonds1

About (2-methyl-1H-imidazol-5-yl)-(3,3,4-trimethylpiperazin-1-yl)methanone

(2-methyl-1H-imidazol-5-yl)-(3,3,4-trimethylpiperazin-1-yl)methanone (PubChem CID 144817234) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is (2-methyl-1H-imidazol-5-yl)-(3,3,4-trimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-methyl-1H-imidazol-5-yl)-(3,3,4-trimethylpiperazin-1-yl)methanone
PubChem CID144817234
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name(2-methyl-1H-imidazol-5-yl)-(3,3,4-trimethylpiperazin-1-yl)methanone
SMILESCc1ncc(C(=O)N2CCN(C)C(C)(C)C2)[nH]1
InChIInChI=1S/C12H20N4O/c1-9-13-7-10(14-9)11(17)16-6-5-15(4)12(2,3)8-16/h7H,5-6,8H2,1-4H3,(H,13,14)
InChIKeyDZSMGGPCVQYDQQ-UHFFFAOYSA-N
XLogP0.88
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-1H-imidazol-5-yl)-(3,3,4-trimethylpiperazin-1-yl)methanone?
The IUPAC name of (2-methyl-1H-imidazol-5-yl)-(3,3,4-trimethylpiperazin-1-yl)methanone (CID 144817234) is (2-methyl-1H-imidazol-5-yl)-(3,3,4-trimethylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-methyl-1H-imidazol-5-yl)-(3,3,4-trimethylpiperazin-1-yl)methanone?
The canonical SMILES for (2-methyl-1H-imidazol-5-yl)-(3,3,4-trimethylpiperazin-1-yl)methanone is Cc1ncc(C(=O)N2CCN(C)C(C)(C)C2)[nH]1.
What is the InChIKey of (2-methyl-1H-imidazol-5-yl)-(3,3,4-trimethylpiperazin-1-yl)methanone?
The InChIKey is DZSMGGPCVQYDQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-9-13-7-10(14-9)11(17)16-6-5-15(4)12(2,3)8-16/h7H,5-6,8H2,1-4H3,(H,13,14).
What are the key properties of (2-methyl-1H-imidazol-5-yl)-(3,3,4-trimethylpiperazin-1-yl)methanone?
(2-methyl-1H-imidazol-5-yl)-(3,3,4-trimethylpiperazin-1-yl)methanone has a molecular weight of 236.32 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1H-imidazol-5-yl)-(3,3,4-trimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 144817234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).