3-methyl-1-[(1-methylpiperazin-2-yl)methyl]-4-(2-methylpropyl)imidazolidin-2-one

C14H28N4O — CID 116982814

IUPAC3-methyl-1-[(1-methylpiperazin-2-yl)methyl]-4-(2-methylpropyl)imidazolidin-2-one
SMILESCC(C)CC1CN(CC2CNCCN2C)C(=O)N1C
InChIInChI=1S/C14H28N4O/c1-11(2)7-12-9-18(14(19)17(12)4)10-13-8-15-5-6-16(13)3/h11-13,15H,5-10H2,1-4H3
InChIKeyRIXVESNVMCFDKN-UHFFFAOYSA-N
MW268.40 g/mol
LogP0.67
Rot. Bonds4

About 3-methyl-1-[(1-methylpiperazin-2-yl)methyl]-4-(2-methylpropyl)imidazolidin-2-one

3-methyl-1-[(1-methylpiperazin-2-yl)methyl]-4-(2-methylpropyl)imidazolidin-2-one (PubChem CID 116982814) has the molecular formula C14H28N4O and a molecular weight of 268.40 g/mol. Its IUPAC name is 3-methyl-1-[(1-methylpiperazin-2-yl)methyl]-4-(2-methylpropyl)imidazolidin-2-one.

Molecular Properties

Compound Name3-methyl-1-[(1-methylpiperazin-2-yl)methyl]-4-(2-methylpropyl)imidazolidin-2-one
PubChem CID116982814
Molecular FormulaC14H28N4O
Molecular Weight268.40 g/mol
Exact Mass268.23
IUPAC Name3-methyl-1-[(1-methylpiperazin-2-yl)methyl]-4-(2-methylpropyl)imidazolidin-2-one
SMILESCC(C)CC1CN(CC2CNCCN2C)C(=O)N1C
InChIInChI=1S/C14H28N4O/c1-11(2)7-12-9-18(14(19)17(12)4)10-13-8-15-5-6-16(13)3/h11-13,15H,5-10H2,1-4H3
InChIKeyRIXVESNVMCFDKN-UHFFFAOYSA-N
XLogP0.67
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(1-methylpiperazin-2-yl)methyl]-4-(2-methylpropyl)imidazolidin-2-one?
The IUPAC name of 3-methyl-1-[(1-methylpiperazin-2-yl)methyl]-4-(2-methylpropyl)imidazolidin-2-one (CID 116982814) is 3-methyl-1-[(1-methylpiperazin-2-yl)methyl]-4-(2-methylpropyl)imidazolidin-2-one.
What is the SMILES notation for 3-methyl-1-[(1-methylpiperazin-2-yl)methyl]-4-(2-methylpropyl)imidazolidin-2-one?
The canonical SMILES for 3-methyl-1-[(1-methylpiperazin-2-yl)methyl]-4-(2-methylpropyl)imidazolidin-2-one is CC(C)CC1CN(CC2CNCCN2C)C(=O)N1C.
What is the InChIKey of 3-methyl-1-[(1-methylpiperazin-2-yl)methyl]-4-(2-methylpropyl)imidazolidin-2-one?
The InChIKey is RIXVESNVMCFDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O/c1-11(2)7-12-9-18(14(19)17(12)4)10-13-8-15-5-6-16(13)3/h11-13,15H,5-10H2,1-4H3.
What are the key properties of 3-methyl-1-[(1-methylpiperazin-2-yl)methyl]-4-(2-methylpropyl)imidazolidin-2-one?
3-methyl-1-[(1-methylpiperazin-2-yl)methyl]-4-(2-methylpropyl)imidazolidin-2-one has a molecular weight of 268.40 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(1-methylpiperazin-2-yl)methyl]-4-(2-methylpropyl)imidazolidin-2-one is sourced from PubChem (CID 116982814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).