4,5-dimethyl-1H-imidazole;bis(4,5-dimethyl-1H-pyrazole);bis(2,3-dimethyl-1H-pyrrole);3,4-dimethyl-1H-pyrrole;4,5-dimethyl-2H-triazole;methane

C40H70N12 — CID 157232202

IUPAC4,5-dimethyl-1H-imidazole;bis(4,5-dimethyl-1H-pyrazole);bis(2,3-dimethyl-1H-pyrrole);3,4-dimethyl-1H-pyrrole;4,5-dimethyl-2H-triazole;methane
SMILESC.C.C.Cc1c[nH]cc1C.Cc1cc[nH]c1C.Cc1cc[nH]c1C.Cc1cn[nH]c1C.Cc1cn[nH]c1C.Cc1n[nH]nc1C.Cc1nc[nH]c1C
InChIInChI=1S/3C6H9N.3C5H8N2.C4H7N3.3CH4/c1-5-3-7-4-6(5)2;2*1-5-3-4-7-6(5)2;1-4-5(2)7-3-6-4;2*1-4-3-6-7-5(4)2;1-3-4(2)6-7-5-3;;;/h3*3-4,7H,1-2H3;3*3H,1-2H3,(H,6,7);1-2H3,(H,5,6,7);3*1H4
InChIKeyAUFOGTMEFCRVAS-UHFFFAOYSA-N
MW719.08 g/mol
LogP10.30
Rot. Bonds

About 4,5-dimethyl-1H-imidazole;bis(4,5-dimethyl-1H-pyrazole);bis(2,3-dimethyl-1H-pyrrole);3,4-dimethyl-1H-pyrrole;4,5-dimethyl-2H-triazole;methane

4,5-dimethyl-1H-imidazole;bis(4,5-dimethyl-1H-pyrazole);bis(2,3-dimethyl-1H-pyrrole);3,4-dimethyl-1H-pyrrole;4,5-dimethyl-2H-triazole;methane (PubChem CID 157232202) has the molecular formula C40H70N12 and a molecular weight of 719.08 g/mol. Its IUPAC name is 4,5-dimethyl-1H-imidazole;bis(4,5-dimethyl-1H-pyrazole);bis(2,3-dimethyl-1H-pyrrole);3,4-dimethyl-1H-pyrrole;4,5-dimethyl-2H-triazole;methane.

Molecular Properties

Compound Name4,5-dimethyl-1H-imidazole;bis(4,5-dimethyl-1H-pyrazole);bis(2,3-dimethyl-1H-pyrrole);3,4-dimethyl-1H-pyrrole;4,5-dimethyl-2H-triazole;methane
PubChem CID157232202
Molecular FormulaC40H70N12
Molecular Weight719.08 g/mol
Exact Mass718.58
IUPAC Name4,5-dimethyl-1H-imidazole;bis(4,5-dimethyl-1H-pyrazole);bis(2,3-dimethyl-1H-pyrrole);3,4-dimethyl-1H-pyrrole;4,5-dimethyl-2H-triazole;methane
SMILESC.C.C.Cc1c[nH]cc1C.Cc1cc[nH]c1C.Cc1cc[nH]c1C.Cc1cn[nH]c1C.Cc1cn[nH]c1C.Cc1n[nH]nc1C.Cc1nc[nH]c1C
InChIInChI=1S/3C6H9N.3C5H8N2.C4H7N3.3CH4/c1-5-3-7-4-6(5)2;2*1-5-3-4-7-6(5)2;1-4-5(2)7-3-6-4;2*1-4-3-6-7-5(4)2;1-3-4(2)6-7-5-3;;;/h3*3-4,7H,1-2H3;3*3H,1-2H3,(H,6,7);1-2H3,(H,5,6,7);3*1H4
InChIKeyAUFOGTMEFCRVAS-UHFFFAOYSA-N
XLogP10.30
TPSA174.98 Ų
H-Bond Donors7
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms52
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500719.08
LogP ≤ 510.30
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 105

Analyze 4,5-dimethyl-1H-imidazole;bis(4,5-dimethyl-1H-pyrazole);bis(2,3-dimethyl-1H-pyrrole);3,4-dimethyl-1H-pyrrole;4,5-dimethyl-2H-triazole;methane with MolForge

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Related Compounds

N-((5-(2-(3-(4-(trifluoromethyl)-1H-imidazol-2-yl)-1H-pyrazol-4-yl)vinyl)pyridin-3-yl)methyl)ethanamine
CID 135823061
N-methyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]-1H-pyrazolo[3,4-c]pyridin-5-amine
CID 89736646
3-(1H-pyrazol-3-yl)-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrimidine
CID 49797873
5,10,15,20-Tetrakis(1,3-diethylimidazol-2-ylium-2-yl)-21,22,23,24-tetrahydroporphyrin
CID 90713413
5,10-bis(1H-imidazol-2-yl)-21,22,23,24-tetrahydroporphyrin
CID 91447595
Tetra-imidazolyl porphyrin
CID 135536062
5'-methyl-1-[2-(1-phenyl-1H-pyrazol-4-yl)ethyl]-1H,3'H-2,4'-biimidazole
CID 56865326
3-(5-{2-[4-(1H-imidazol-2-yl)-1H-1,2,3-triazol-1-yl]ethyl}-1H-1,2,4-triazol-3-yl)pyridine
CID 72895123
5,10,15,20-Tetrakis(1,3-diethylimidazol-1-ium-2-yl)-21,23-dihydroporphyrin
CID 135415944
N-[[5-[2-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1H-pyrazol-4-yl]ethenyl]pyridin-3-yl]methyl]ethanamine
CID 136636138
2-(4,5-dimethyl-1H-imidazol-2-yl)-6-methylpyridine;(2Z)-2-[1-(3,5-dimethyl-1H-pyrrol-2-yl)ethylidene]-3,5-dimethylpyrrole;2-(1H-imidazol-2-yl)pyridine;2-(5-methyl-1H-pyrazol-3-yl)pyridine;2-methyl-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine;2-(1H-pyrazol-5-yl)pyridine;(2Z)-2-(1H-pyrrol-2-ylmethylidene)pyrrole;2-(1H-1,2,4-triazol-5-yl)pyridine;2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
CID 159988798
1,4-dimethylpyrazole;1,5-dimethylpyrazole;4,5-dimethyl-1H-pyrazole;2-ethyl-1-methylimidazole;4-methyl-1H-pyrazole;1-methylpyrrole;4-methyl-5-(trifluoromethyl)-1H-pyrazole;3,4,5-trimethyl-1H-pyrazole
CID 160303902

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-1H-imidazole;bis(4,5-dimethyl-1H-pyrazole);bis(2,3-dimethyl-1H-pyrrole);3,4-dimethyl-1H-pyrrole;4,5-dimethyl-2H-triazole;methane?
The IUPAC name of 4,5-dimethyl-1H-imidazole;bis(4,5-dimethyl-1H-pyrazole);bis(2,3-dimethyl-1H-pyrrole);3,4-dimethyl-1H-pyrrole;4,5-dimethyl-2H-triazole;methane (CID 157232202) is 4,5-dimethyl-1H-imidazole;bis(4,5-dimethyl-1H-pyrazole);bis(2,3-dimethyl-1H-pyrrole);3,4-dimethyl-1H-pyrrole;4,5-dimethyl-2H-triazole;methane.
What is the SMILES notation for 4,5-dimethyl-1H-imidazole;bis(4,5-dimethyl-1H-pyrazole);bis(2,3-dimethyl-1H-pyrrole);3,4-dimethyl-1H-pyrrole;4,5-dimethyl-2H-triazole;methane?
The canonical SMILES for 4,5-dimethyl-1H-imidazole;bis(4,5-dimethyl-1H-pyrazole);bis(2,3-dimethyl-1H-pyrrole);3,4-dimethyl-1H-pyrrole;4,5-dimethyl-2H-triazole;methane is C.C.C.Cc1c[nH]cc1C.Cc1cc[nH]c1C.Cc1cc[nH]c1C.Cc1cn[nH]c1C.Cc1cn[nH]c1C.Cc1n[nH]nc1C.Cc1nc[nH]c1C.
What is the InChIKey of 4,5-dimethyl-1H-imidazole;bis(4,5-dimethyl-1H-pyrazole);bis(2,3-dimethyl-1H-pyrrole);3,4-dimethyl-1H-pyrrole;4,5-dimethyl-2H-triazole;methane?
The InChIKey is AUFOGTMEFCRVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H9N.3C5H8N2.C4H7N3.3CH4/c1-5-3-7-4-6(5)2;2*1-5-3-4-7-6(5)2;1-4-5(2)7-3-6-4;2*1-4-3-6-7-5(4)2;1-3-4(2)6-7-5-3;;;/h3*3-4,7H,1-2H3;3*3H,1-2H3,(H,6,7);1-2H3,(H,5,6,7);3*1H4.
What are the key properties of 4,5-dimethyl-1H-imidazole;bis(4,5-dimethyl-1H-pyrazole);bis(2,3-dimethyl-1H-pyrrole);3,4-dimethyl-1H-pyrrole;4,5-dimethyl-2H-triazole;methane?
4,5-dimethyl-1H-imidazole;bis(4,5-dimethyl-1H-pyrazole);bis(2,3-dimethyl-1H-pyrrole);3,4-dimethyl-1H-pyrrole;4,5-dimethyl-2H-triazole;methane has a molecular weight of 719.08 g/mol, XLogP of 10.30, 0 rotatable bonds, 7 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-1H-imidazole;bis(4,5-dimethyl-1H-pyrazole);bis(2,3-dimethyl-1H-pyrrole);3,4-dimethyl-1H-pyrrole;4,5-dimethyl-2H-triazole;methane is sourced from PubChem (CID 157232202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).