2-methyl-6-(2-piperazin-1-ylethyl)-3,5-dihydroimidazo[1,5-c]imidazol-7-one

C12H21N5O — CID 68646637

IUPAC2-methyl-6-(2-piperazin-1-ylethyl)-3,5-dihydroimidazo[1,5-c]imidazol-7-one
SMILESCN1C=C2C(=O)N(CCN3CCNCC3)CN2C1
InChIInChI=1S/C12H21N5O/c1-14-8-11-12(18)16(10-17(11)9-14)7-6-15-4-2-13-3-5-15/h8,13H,2-7,9-10H2,1H3
InChIKeyNHXRHSWMWQYJAS-UHFFFAOYSA-N
MW251.33 g/mol
LogP-1.26
Rot. Bonds3

About 2-methyl-6-(2-piperazin-1-ylethyl)-3,5-dihydroimidazo[1,5-c]imidazol-7-one

2-methyl-6-(2-piperazin-1-ylethyl)-3,5-dihydroimidazo[1,5-c]imidazol-7-one (PubChem CID 68646637) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-methyl-6-(2-piperazin-1-ylethyl)-3,5-dihydroimidazo[1,5-c]imidazol-7-one.

Molecular Properties

Compound Name2-methyl-6-(2-piperazin-1-ylethyl)-3,5-dihydroimidazo[1,5-c]imidazol-7-one
PubChem CID68646637
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name2-methyl-6-(2-piperazin-1-ylethyl)-3,5-dihydroimidazo[1,5-c]imidazol-7-one
SMILESCN1C=C2C(=O)N(CCN3CCNCC3)CN2C1
InChIInChI=1S/C12H21N5O/c1-14-8-11-12(18)16(10-17(11)9-14)7-6-15-4-2-13-3-5-15/h8,13H,2-7,9-10H2,1H3
InChIKeyNHXRHSWMWQYJAS-UHFFFAOYSA-N
XLogP-1.26
TPSA42.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 5-1.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(2-piperazin-1-ylethyl)-3,5-dihydroimidazo[1,5-c]imidazol-7-one?
The IUPAC name of 2-methyl-6-(2-piperazin-1-ylethyl)-3,5-dihydroimidazo[1,5-c]imidazol-7-one (CID 68646637) is 2-methyl-6-(2-piperazin-1-ylethyl)-3,5-dihydroimidazo[1,5-c]imidazol-7-one.
What is the SMILES notation for 2-methyl-6-(2-piperazin-1-ylethyl)-3,5-dihydroimidazo[1,5-c]imidazol-7-one?
The canonical SMILES for 2-methyl-6-(2-piperazin-1-ylethyl)-3,5-dihydroimidazo[1,5-c]imidazol-7-one is CN1C=C2C(=O)N(CCN3CCNCC3)CN2C1.
What is the InChIKey of 2-methyl-6-(2-piperazin-1-ylethyl)-3,5-dihydroimidazo[1,5-c]imidazol-7-one?
The InChIKey is NHXRHSWMWQYJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-14-8-11-12(18)16(10-17(11)9-14)7-6-15-4-2-13-3-5-15/h8,13H,2-7,9-10H2,1H3.
What are the key properties of 2-methyl-6-(2-piperazin-1-ylethyl)-3,5-dihydroimidazo[1,5-c]imidazol-7-one?
2-methyl-6-(2-piperazin-1-ylethyl)-3,5-dihydroimidazo[1,5-c]imidazol-7-one has a molecular weight of 251.33 g/mol, XLogP of -1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(2-piperazin-1-ylethyl)-3,5-dihydroimidazo[1,5-c]imidazol-7-one is sourced from PubChem (CID 68646637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).