3-benzyl-1H-imidazol-2-one

C10H10N2O — CID 2817661

IUPAC3-benzyl-1H-imidazol-2-one
SMILESO=c1[nH]ccn1Cc1ccccc1
InChIInChI=1S/C10H10N2O/c13-10-11-6-7-12(10)8-9-4-2-1-3-5-9/h1-7H,8H2,(H,11,13)
InChIKeyMDHGKJCKJNPZKA-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.22
Rot. Bonds2

About 3-benzyl-1H-imidazol-2-one

3-benzyl-1H-imidazol-2-one (PubChem CID 2817661) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 3-benzyl-1H-imidazol-2-one.

Molecular Properties

Compound Name3-benzyl-1H-imidazol-2-one
PubChem CID2817661
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name3-benzyl-1H-imidazol-2-one
SMILESO=c1[nH]ccn1Cc1ccccc1
InChIInChI=1S/C10H10N2O/c13-10-11-6-7-12(10)8-9-4-2-1-3-5-9/h1-7H,8H2,(H,11,13)
InChIKeyMDHGKJCKJNPZKA-UHFFFAOYSA-N
XLogP1.22
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1H-imidazol-2-one?
The IUPAC name of 3-benzyl-1H-imidazol-2-one (CID 2817661) is 3-benzyl-1H-imidazol-2-one.
What is the SMILES notation for 3-benzyl-1H-imidazol-2-one?
The canonical SMILES for 3-benzyl-1H-imidazol-2-one is O=c1[nH]ccn1Cc1ccccc1.
What is the InChIKey of 3-benzyl-1H-imidazol-2-one?
The InChIKey is MDHGKJCKJNPZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c13-10-11-6-7-12(10)8-9-4-2-1-3-5-9/h1-7H,8H2,(H,11,13).
What are the key properties of 3-benzyl-1H-imidazol-2-one?
3-benzyl-1H-imidazol-2-one has a molecular weight of 174.20 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1H-imidazol-2-one is sourced from PubChem (CID 2817661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).