2-methyl-5-(4-phenyl-1H-imidazol-5-yl)-1H-imidazole

C13H12N4 — CID 50984124

IUPAC2-methyl-5-(4-phenyl-1H-imidazol-5-yl)-1H-imidazole
SMILESCc1ncc(-c2[nH]cnc2-c2ccccc2)[nH]1
InChIInChI=1S/C13H12N4/c1-9-14-7-11(17-9)13-12(15-8-16-13)10-5-3-2-4-6-10/h2-8H,1H3,(H,14,17)(H,15,16)
InChIKeyVCPCZPGUIXFJSY-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.78
Rot. Bonds2

About 2-methyl-5-(4-phenyl-1H-imidazol-5-yl)-1H-imidazole

2-methyl-5-(4-phenyl-1H-imidazol-5-yl)-1H-imidazole (PubChem CID 50984124) has the molecular formula C13H12N4 and a molecular weight of 224.27 g/mol. Its IUPAC name is 2-methyl-5-(4-phenyl-1H-imidazol-5-yl)-1H-imidazole.

Molecular Properties

Compound Name2-methyl-5-(4-phenyl-1H-imidazol-5-yl)-1H-imidazole
PubChem CID50984124
Molecular FormulaC13H12N4
Molecular Weight224.27 g/mol
Exact Mass224.11
IUPAC Name2-methyl-5-(4-phenyl-1H-imidazol-5-yl)-1H-imidazole
SMILESCc1ncc(-c2[nH]cnc2-c2ccccc2)[nH]1
InChIInChI=1S/C13H12N4/c1-9-14-7-11(17-9)13-12(15-8-16-13)10-5-3-2-4-6-10/h2-8H,1H3,(H,14,17)(H,15,16)
InChIKeyVCPCZPGUIXFJSY-UHFFFAOYSA-N
XLogP2.78
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-phenyl-1H-imidazol-5-yl)-1H-indole
CID 141454791
N-methyl-3-(4-phenyl-1H-imidazol-5-yl)pyridin-2-amine
CID 50961103
azane;2-methyl-5-(4-methylphenyl)-1H-imidazole
CID 175302356
2-methyl-5-[4-(4-methylphenyl)phenyl]-1H-imidazole
CID 118357531
3-(5-phenyl-1H-imidazol-4-yl)quinoline
CID 50948318
1-[3-(2-methyl-1H-imidazol-5-yl)phenyl]ethanone
CID 39805487
6-methyl-5-phenyl-1H-pyrazine-2-thione
CID 20978320
2-methyl-5-(2-methyl-1H-imidazol-5-yl)pyridine
CID 90181960
5-fluoro-3-methyl-2-phenylpyridine
CID 46314858
2-(furan-2-yl)-5-(5-phenyl-1H-imidazol-4-yl)pyrimidine
CID 50963722
(4-phenyl-1H-imidazol-5-yl)methanethiol
CID 174434472
2-methylsulfanyl-5-phenyl-1H-imidazole
CID 3904984

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(4-phenyl-1H-imidazol-5-yl)-1H-imidazole?
The IUPAC name of 2-methyl-5-(4-phenyl-1H-imidazol-5-yl)-1H-imidazole (CID 50984124) is 2-methyl-5-(4-phenyl-1H-imidazol-5-yl)-1H-imidazole.
What is the SMILES notation for 2-methyl-5-(4-phenyl-1H-imidazol-5-yl)-1H-imidazole?
The canonical SMILES for 2-methyl-5-(4-phenyl-1H-imidazol-5-yl)-1H-imidazole is Cc1ncc(-c2[nH]cnc2-c2ccccc2)[nH]1.
What is the InChIKey of 2-methyl-5-(4-phenyl-1H-imidazol-5-yl)-1H-imidazole?
The InChIKey is VCPCZPGUIXFJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4/c1-9-14-7-11(17-9)13-12(15-8-16-13)10-5-3-2-4-6-10/h2-8H,1H3,(H,14,17)(H,15,16).
What are the key properties of 2-methyl-5-(4-phenyl-1H-imidazol-5-yl)-1H-imidazole?
2-methyl-5-(4-phenyl-1H-imidazol-5-yl)-1H-imidazole has a molecular weight of 224.27 g/mol, XLogP of 2.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(4-phenyl-1H-imidazol-5-yl)-1H-imidazole is sourced from PubChem (CID 50984124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).