1-methyl-4-(1-methylbenzimidazol-5-yl)imidazolidin-2-one

C12H14N4O — CID 116980895

IUPAC1-methyl-4-(1-methylbenzimidazol-5-yl)imidazolidin-2-one
SMILESCN1CC(c2ccc3c(c2)ncn3C)NC1=O
InChIInChI=1S/C12H14N4O/c1-15-6-10(14-12(15)17)8-3-4-11-9(5-8)13-7-16(11)2/h3-5,7,10H,6H2,1-2H3,(H,14,17)
InChIKeyGJJNNZFTLSJMHI-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.27
Rot. Bonds1

About 1-methyl-4-(1-methylbenzimidazol-5-yl)imidazolidin-2-one

1-methyl-4-(1-methylbenzimidazol-5-yl)imidazolidin-2-one (PubChem CID 116980895) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 1-methyl-4-(1-methylbenzimidazol-5-yl)imidazolidin-2-one.

Molecular Properties

Compound Name1-methyl-4-(1-methylbenzimidazol-5-yl)imidazolidin-2-one
PubChem CID116980895
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name1-methyl-4-(1-methylbenzimidazol-5-yl)imidazolidin-2-one
SMILESCN1CC(c2ccc3c(c2)ncn3C)NC1=O
InChIInChI=1S/C12H14N4O/c1-15-6-10(14-12(15)17)8-3-4-11-9(5-8)13-7-16(11)2/h3-5,7,10H,6H2,1-2H3,(H,14,17)
InChIKeyGJJNNZFTLSJMHI-UHFFFAOYSA-N
XLogP1.27
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(1-methylbenzimidazol-5-yl)imidazolidin-2-one?
The IUPAC name of 1-methyl-4-(1-methylbenzimidazol-5-yl)imidazolidin-2-one (CID 116980895) is 1-methyl-4-(1-methylbenzimidazol-5-yl)imidazolidin-2-one.
What is the SMILES notation for 1-methyl-4-(1-methylbenzimidazol-5-yl)imidazolidin-2-one?
The canonical SMILES for 1-methyl-4-(1-methylbenzimidazol-5-yl)imidazolidin-2-one is CN1CC(c2ccc3c(c2)ncn3C)NC1=O.
What is the InChIKey of 1-methyl-4-(1-methylbenzimidazol-5-yl)imidazolidin-2-one?
The InChIKey is GJJNNZFTLSJMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-15-6-10(14-12(15)17)8-3-4-11-9(5-8)13-7-16(11)2/h3-5,7,10H,6H2,1-2H3,(H,14,17).
What are the key properties of 1-methyl-4-(1-methylbenzimidazol-5-yl)imidazolidin-2-one?
1-methyl-4-(1-methylbenzimidazol-5-yl)imidazolidin-2-one has a molecular weight of 230.27 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(1-methylbenzimidazol-5-yl)imidazolidin-2-one is sourced from PubChem (CID 116980895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).