4-(3-imidazol-1-ylbenzoyl)-5-methyl-1,3-dihydroimidazol-2-one

C14H12N4O2 — CID 139635569

IUPAC4-(3-imidazol-1-ylbenzoyl)-5-methyl-1,3-dihydroimidazol-2-one
SMILESCc1[nH]c(=O)[nH]c1C(=O)c1cccc(-n2ccnc2)c1
InChIInChI=1S/C14H12N4O2/c1-9-12(17-14(20)16-9)13(19)10-3-2-4-11(7-10)18-6-5-15-8-18/h2-8H,1H3,(H2,16,17,20)
InChIKeyTWOWMHNIUDYOAZ-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.43
Rot. Bonds3

About 4-(3-imidazol-1-ylbenzoyl)-5-methyl-1,3-dihydroimidazol-2-one

4-(3-imidazol-1-ylbenzoyl)-5-methyl-1,3-dihydroimidazol-2-one (PubChem CID 139635569) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 4-(3-imidazol-1-ylbenzoyl)-5-methyl-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-(3-imidazol-1-ylbenzoyl)-5-methyl-1,3-dihydroimidazol-2-one
PubChem CID139635569
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC Name4-(3-imidazol-1-ylbenzoyl)-5-methyl-1,3-dihydroimidazol-2-one
SMILESCc1[nH]c(=O)[nH]c1C(=O)c1cccc(-n2ccnc2)c1
InChIInChI=1S/C14H12N4O2/c1-9-12(17-14(20)16-9)13(19)10-3-2-4-11(7-10)18-6-5-15-8-18/h2-8H,1H3,(H2,16,17,20)
InChIKeyTWOWMHNIUDYOAZ-UHFFFAOYSA-N
XLogP1.43
TPSA83.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(2,3-dimethylphenyl)-3-imidazol-1-ylbenzamide
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CID 82607597
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N-(2-hydroxy-2-phenylpropyl)-3-imidazol-1-ylbenzamide
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4-(4-bromobenzoyl)-5-methyl-1,3-dihydroimidazol-2-one
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1-(3-tert-butylphenyl)imidazole
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Frequently Asked Questions

What is the IUPAC name of 4-(3-imidazol-1-ylbenzoyl)-5-methyl-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-(3-imidazol-1-ylbenzoyl)-5-methyl-1,3-dihydroimidazol-2-one (CID 139635569) is 4-(3-imidazol-1-ylbenzoyl)-5-methyl-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-(3-imidazol-1-ylbenzoyl)-5-methyl-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-(3-imidazol-1-ylbenzoyl)-5-methyl-1,3-dihydroimidazol-2-one is Cc1[nH]c(=O)[nH]c1C(=O)c1cccc(-n2ccnc2)c1.
What is the InChIKey of 4-(3-imidazol-1-ylbenzoyl)-5-methyl-1,3-dihydroimidazol-2-one?
The InChIKey is TWOWMHNIUDYOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c1-9-12(17-14(20)16-9)13(19)10-3-2-4-11(7-10)18-6-5-15-8-18/h2-8H,1H3,(H2,16,17,20).
What are the key properties of 4-(3-imidazol-1-ylbenzoyl)-5-methyl-1,3-dihydroimidazol-2-one?
4-(3-imidazol-1-ylbenzoyl)-5-methyl-1,3-dihydroimidazol-2-one has a molecular weight of 268.28 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-imidazol-1-ylbenzoyl)-5-methyl-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 139635569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).