2-(4-methoxyphenyl)-4,5-dimethylidene-1H-imidazole

C12H12N2O — CID 123981198

IUPAC2-(4-methoxyphenyl)-4,5-dimethylidene-1H-imidazole
SMILESC=c1nc(-c2ccc(OC)cc2)[nH]c1=C
InChIInChI=1S/C12H12N2O/c1-8-9(2)14-12(13-8)10-4-6-11(15-3)7-5-10/h4-7H,1-2H2,3H3,(H,13,14)
InChIKeyBKLGSZBSGXMABA-UHFFFAOYSA-N
MW200.24 g/mol
LogP0.91
Rot. Bonds2

About 2-(4-methoxyphenyl)-4,5-dimethylidene-1H-imidazole

2-(4-methoxyphenyl)-4,5-dimethylidene-1H-imidazole (PubChem CID 123981198) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-4,5-dimethylidene-1H-imidazole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-4,5-dimethylidene-1H-imidazole
PubChem CID123981198
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name2-(4-methoxyphenyl)-4,5-dimethylidene-1H-imidazole
SMILESC=c1nc(-c2ccc(OC)cc2)[nH]c1=C
InChIInChI=1S/C12H12N2O/c1-8-9(2)14-12(13-8)10-4-6-11(15-3)7-5-10/h4-7H,1-2H2,3H3,(H,13,14)
InChIKeyBKLGSZBSGXMABA-UHFFFAOYSA-N
XLogP0.91
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-hydroxy-2,5-bis(4-methoxyphenyl)-1H-pyrimidin-6-one
CID 165345881
4,5-bis(4-methoxyphenyl)-2-(4-methylphenyl)-1H-imidazole
CID 1101727
2-(4-methoxyphenyl)-5-(4-methylphenyl)-1H-imidazole-4-thiol
CID 23904808
4-(4-methoxyphenyl)-2-[4-[4-(4-methoxyphenyl)-5-phenyl-1H-imidazol-2-yl]phenyl]-5-phenyl-1H-imidazole
CID 136591177
[2-(4-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]methanamine
CID 82285142
2-(4-methoxyphenyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]imidazole
CID 83949419
2-(4-bromophenyl)-4,5-bis(4-methoxyphenyl)-1H-imidazole
CID 1101724
2-(4-methoxyphenyl)-5-methyl-4-propyl-1H-imidazole
CID 160651748
4-(chloromethyl)-2-(4-methoxyphenyl)-5-methyl-1H-imidazole;hydrochloride
CID 22412365
4-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]phenol
CID 1101726
4,5-bis[4-(4-methoxyphenyl)phenyl]-2-phenyl-1H-imidazole
CID 86068927
3-(4-methoxyphenyl)-4H-1,2,4-thiadiazol-5-one
CID 135697428

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-4,5-dimethylidene-1H-imidazole?
The IUPAC name of 2-(4-methoxyphenyl)-4,5-dimethylidene-1H-imidazole (CID 123981198) is 2-(4-methoxyphenyl)-4,5-dimethylidene-1H-imidazole.
What is the SMILES notation for 2-(4-methoxyphenyl)-4,5-dimethylidene-1H-imidazole?
The canonical SMILES for 2-(4-methoxyphenyl)-4,5-dimethylidene-1H-imidazole is C=c1nc(-c2ccc(OC)cc2)[nH]c1=C.
What is the InChIKey of 2-(4-methoxyphenyl)-4,5-dimethylidene-1H-imidazole?
The InChIKey is BKLGSZBSGXMABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-8-9(2)14-12(13-8)10-4-6-11(15-3)7-5-10/h4-7H,1-2H2,3H3,(H,13,14).
What are the key properties of 2-(4-methoxyphenyl)-4,5-dimethylidene-1H-imidazole?
2-(4-methoxyphenyl)-4,5-dimethylidene-1H-imidazole has a molecular weight of 200.24 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-4,5-dimethylidene-1H-imidazole is sourced from PubChem (CID 123981198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).