2-(1H-imidazol-2-yl)-4-propan-2-yl-1,4-dihydroimidazol-5-one

C9H12N4O — CID 106953099

IUPAC2-(1H-imidazol-2-yl)-4-propan-2-yl-1,4-dihydroimidazol-5-one
SMILESCC(C)C1N=C(c2ncc[nH]2)NC1=O
InChIInChI=1S/C9H12N4O/c1-5(2)6-9(14)13-8(12-6)7-10-3-4-11-7/h3-6H,1-2H3,(H,10,11)(H,12,13,14)
InChIKeyCCSJYHAJMXPEHA-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.31
Rot. Bonds2

About 2-(1H-imidazol-2-yl)-4-propan-2-yl-1,4-dihydroimidazol-5-one

2-(1H-imidazol-2-yl)-4-propan-2-yl-1,4-dihydroimidazol-5-one (PubChem CID 106953099) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 2-(1H-imidazol-2-yl)-4-propan-2-yl-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name2-(1H-imidazol-2-yl)-4-propan-2-yl-1,4-dihydroimidazol-5-one
PubChem CID106953099
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name2-(1H-imidazol-2-yl)-4-propan-2-yl-1,4-dihydroimidazol-5-one
SMILESCC(C)C1N=C(c2ncc[nH]2)NC1=O
InChIInChI=1S/C9H12N4O/c1-5(2)6-9(14)13-8(12-6)7-10-3-4-11-7/h3-6H,1-2H3,(H,10,11)(H,12,13,14)
InChIKeyCCSJYHAJMXPEHA-UHFFFAOYSA-N
XLogP0.31
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-2-yl)-4-propan-2-yl-1,4-dihydroimidazol-5-one?
The IUPAC name of 2-(1H-imidazol-2-yl)-4-propan-2-yl-1,4-dihydroimidazol-5-one (CID 106953099) is 2-(1H-imidazol-2-yl)-4-propan-2-yl-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 2-(1H-imidazol-2-yl)-4-propan-2-yl-1,4-dihydroimidazol-5-one?
The canonical SMILES for 2-(1H-imidazol-2-yl)-4-propan-2-yl-1,4-dihydroimidazol-5-one is CC(C)C1N=C(c2ncc[nH]2)NC1=O.
What is the InChIKey of 2-(1H-imidazol-2-yl)-4-propan-2-yl-1,4-dihydroimidazol-5-one?
The InChIKey is CCSJYHAJMXPEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-5(2)6-9(14)13-8(12-6)7-10-3-4-11-7/h3-6H,1-2H3,(H,10,11)(H,12,13,14).
What are the key properties of 2-(1H-imidazol-2-yl)-4-propan-2-yl-1,4-dihydroimidazol-5-one?
2-(1H-imidazol-2-yl)-4-propan-2-yl-1,4-dihydroimidazol-5-one has a molecular weight of 192.22 g/mol, XLogP of 0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-2-yl)-4-propan-2-yl-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 106953099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).