2,6-dimethyl-1H-benzimidazole;2,7-dimethyl-3H-benzo[e]benzimidazole;bis(2,5-dimethyl-1H-imidazole);2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1H-pyrazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1H-1,2,4-triazole

C51H67N15OS — CID 159187263

IUPAC2,6-dimethyl-1H-benzimidazole;2,7-dimethyl-3H-benzo[e]benzimidazole;bis(2,5-dimethyl-1H-imidazole);2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1H-pyrazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1H-1,2,4-triazole
SMILESCc1cc(C)[nH]n1.Cc1ccc2c(ccc3[nH]c(C)nc32)c1.Cc1ccc2nc(C)[nH]c2c1.Cc1cnc(C)[nH]1.Cc1cnc(C)[nH]1.Cc1cnc(C)o1.Cc1cnc(C)s1.Cc1n[nH]c(C)n1
InChIInChI=1S/C13H12N2.C9H10N2.3C5H8N2.C5H7NO.C5H7NS.C4H7N3/c1-8-3-5-11-10(7-8)4-6-12-13(11)15-9(2)14-12;1-6-3-4-8-9(5-6)11-7(2)10-8;2*1-4-3-6-5(2)7-4;1-4-3-5(2)7-6-4;2*1-4-3-6-5(2)7-4;1-3-5-4(2)7-6-3/h3-7H,1-2H3,(H,14,15);3-5H,1-2H3,(H,10,11);3*3H,1-2H3,(H,6,7);2*3H,1-2H3;1-2H3,(H,5,6,7)
InChIKeyKNQIMLMUMZPFNI-UHFFFAOYSA-N
MW938.27 g/mol
LogP12.07
Rot. Bonds

About 2,6-dimethyl-1H-benzimidazole;2,7-dimethyl-3H-benzo[e]benzimidazole;bis(2,5-dimethyl-1H-imidazole);2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1H-pyrazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1H-1,2,4-triazole

2,6-dimethyl-1H-benzimidazole;2,7-dimethyl-3H-benzo[e]benzimidazole;bis(2,5-dimethyl-1H-imidazole);2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1H-pyrazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1H-1,2,4-triazole (PubChem CID 159187263) has the molecular formula C51H67N15OS and a molecular weight of 938.27 g/mol. Its IUPAC name is 2,6-dimethyl-1H-benzimidazole;2,7-dimethyl-3H-benzo[e]benzimidazole;bis(2,5-dimethyl-1H-imidazole);2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1H-pyrazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1H-1,2,4-triazole.

Molecular Properties

Compound Name2,6-dimethyl-1H-benzimidazole;2,7-dimethyl-3H-benzo[e]benzimidazole;bis(2,5-dimethyl-1H-imidazole);2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1H-pyrazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1H-1,2,4-triazole
PubChem CID159187263
Molecular FormulaC51H67N15OS
Molecular Weight938.27 g/mol
Exact Mass937.54
IUPAC Name2,6-dimethyl-1H-benzimidazole;2,7-dimethyl-3H-benzo[e]benzimidazole;bis(2,5-dimethyl-1H-imidazole);2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1H-pyrazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1H-1,2,4-triazole
SMILESCc1cc(C)[nH]n1.Cc1ccc2c(ccc3[nH]c(C)nc32)c1.Cc1ccc2nc(C)[nH]c2c1.Cc1cnc(C)[nH]1.Cc1cnc(C)[nH]1.Cc1cnc(C)o1.Cc1cnc(C)s1.Cc1n[nH]c(C)n1
InChIInChI=1S/C13H12N2.C9H10N2.3C5H8N2.C5H7NO.C5H7NS.C4H7N3/c1-8-3-5-11-10(7-8)4-6-12-13(11)15-9(2)14-12;1-6-3-4-8-9(5-6)11-7(2)10-8;2*1-4-3-6-5(2)7-4;1-4-3-5(2)7-6-4;2*1-4-3-6-5(2)7-4;1-3-5-4(2)7-6-3/h3-7H,1-2H3,(H,14,15);3-5H,1-2H3,(H,10,11);3*3H,1-2H3,(H,6,7);2*3H,1-2H3;1-2H3,(H,5,6,7)
InChIKeyKNQIMLMUMZPFNI-UHFFFAOYSA-N
XLogP12.07
TPSA223.89 Ų
H-Bond Donors6
H-Bond Acceptors11
Rotatable Bonds
Heavy Atoms68
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500938.27
LogP ≤ 512.07
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1011

Analyze 2,6-dimethyl-1H-benzimidazole;2,7-dimethyl-3H-benzo[e]benzimidazole;bis(2,5-dimethyl-1H-imidazole);2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1H-pyrazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1H-1,2,4-triazole with MolForge

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Related Compounds

(2S)-3-methyl-1-[(2S)-2-[5-[6-[2-[(2S)-1-[(2S)-3-methyl-2-(1,3-thiazol-2-ylamino)butanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]naphthalen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-(1,3-oxazol-2-ylamino)butan-1-one
CID 53258049
(2S)-3-methyl-1-[(2S)-2-[6-[6-[2-[(2S)-1-[(2S)-3-methyl-2-(1,3-thiazol-2-ylamino)butanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-2-(1,3-oxazol-2-ylamino)butan-1-one
CID 58316176
3-methyl-1-[2-[5-[6-[2-[1-[3-methyl-2-(1,3-thiazol-2-ylamino)butanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]naphthalen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-(1,3-oxazol-2-ylamino)butan-1-one
CID 75994300
3-methyl-1-[2-[6-[6-[2-[1-[3-methyl-2-(1,3-thiazol-2-ylamino)butanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-2-(1,3-oxazol-2-ylamino)butan-1-one
CID 76758770
2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1H-imidazo[4,5-b]pyridine;2,6-dimethyl-1H-imidazo[4,5-b]pyridine;2,6-dimethyl-3H-imidazo[4,5-c]pyridine;2,5-dimethyl-1H-imidazole;2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1H-pyrazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1H-1,2,4-triazole
CID 157077798
bis(2,6-dimethyl-1H-benzimidazole);bis(2,5-dimethyl-1H-imidazo[4,5-b]pyridine);tetrakis(2,5-dimethyl-1H-imidazole);bis(2,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-2H-pyrrole);bis(2,5-dimethyl-1,3-thiazole);bis(3,5-dimethyl-1H-1,2,4-triazole)
CID 157265012
bis(2,6-dimethyl-1H-benzimidazole);bis(2,7-dimethyl-3H-benzo[e]benzimidazole);2,7-dimethyl-4,5-dihydro-3H-benzo[e]benzimidazole;bis(2,5-dimethyl-3H-imidazo[4,5-b]pyrazine);bis(2,5-dimethyl-1H-imidazo[4,5-b]pyridine);bis(2,6-dimethyl-1H-imidazo[4,5-b]pyridine);bis(2,6-dimethyl-3H-imidazo[4,5-c]pyridine);tris(2,5-dimethyl-1H-imidazole);bis(2,5-dimethyl-1,3-oxazole);bis(2,8-dimethyl-7H-purine);bis(3,5-dimethyl-2H-pyrrole);bis(2,5-dimethyl-1,3-thiazole);bis(3,5-dimethyl-1H-1,2,4-triazole);2-methyl-1H-imidazole
CID 157379391
2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-3H-imidazo[4,5-b]pyrazine;2,5-dimethyl-1H-imidazo[4,5-b]pyridine;2,6-dimethyl-1H-imidazo[4,5-b]pyridine;2,6-dimethyl-3H-imidazo[4,5-c]pyridine;bis(2,5-dimethyl-1H-imidazole);2,5-dimethyl-1,3-oxazole;2,8-dimethyl-7H-purine;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1H-1,2,4-triazole;methane
CID 157422107
bis(2,6-dimethyl-1H-benzimidazole);bis(2,5-dimethyl-3H-imidazo[4,5-b]pyrazine);bis(2,5-dimethyl-1H-imidazo[4,5-b]pyridine);bis(2,6-dimethyl-1H-imidazo[4,5-b]pyridine);bis(2,6-dimethyl-3H-imidazo[4,5-c]pyridine);tetrakis(2,5-dimethyl-1H-imidazole);bis(2,5-dimethyl-1,3-oxazole);bis(2,8-dimethyl-7H-purine);bis(3,5-dimethyl-2H-pyrrole);bis(2,5-dimethyl-1,3-thiazole);bis(3,5-dimethyl-1H-1,2,4-triazole);methane
CID 157673150
2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1H-imidazo[4,5-b]pyridine;bis(2,6-dimethyl-3H-imidazo[4,5-c]pyridine);2,5-dimethyl-1H-imidazole;2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1H-pyrazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1H-1,2,4-triazole
CID 157878752
bis(2,6-dimethyl-1H-benzimidazole);bis(2,5-dimethyl-1H-imidazo[4,5-b]pyridine);bis(2,6-dimethyl-1H-imidazo[4,5-b]pyridine);bis(2,6-dimethyl-3H-imidazo[4,5-c]pyridine);tetrakis(2,5-dimethyl-1H-imidazole);bis(2,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-2H-pyrrole);bis(2,5-dimethyl-1,3-thiazole);bis(3,5-dimethyl-1H-1,2,4-triazole)
CID 158206362
2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1H-imidazo[4,5-b]pyridine;2,6-dimethyl-1H-imidazo[4,5-b]pyridine;2,6-dimethyl-3H-imidazo[4,5-c]pyridine;2,5-dimethyl-1H-imidazole;2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1H-pyrazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1H-1,2,4-triazole;methane
CID 158250860

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-1H-benzimidazole;2,7-dimethyl-3H-benzo[e]benzimidazole;bis(2,5-dimethyl-1H-imidazole);2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1H-pyrazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1H-1,2,4-triazole?
The IUPAC name of 2,6-dimethyl-1H-benzimidazole;2,7-dimethyl-3H-benzo[e]benzimidazole;bis(2,5-dimethyl-1H-imidazole);2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1H-pyrazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1H-1,2,4-triazole (CID 159187263) is 2,6-dimethyl-1H-benzimidazole;2,7-dimethyl-3H-benzo[e]benzimidazole;bis(2,5-dimethyl-1H-imidazole);2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1H-pyrazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1H-1,2,4-triazole.
What is the SMILES notation for 2,6-dimethyl-1H-benzimidazole;2,7-dimethyl-3H-benzo[e]benzimidazole;bis(2,5-dimethyl-1H-imidazole);2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1H-pyrazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1H-1,2,4-triazole?
The canonical SMILES for 2,6-dimethyl-1H-benzimidazole;2,7-dimethyl-3H-benzo[e]benzimidazole;bis(2,5-dimethyl-1H-imidazole);2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1H-pyrazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1H-1,2,4-triazole is Cc1cc(C)[nH]n1.Cc1ccc2c(ccc3[nH]c(C)nc32)c1.Cc1ccc2nc(C)[nH]c2c1.Cc1cnc(C)[nH]1.Cc1cnc(C)[nH]1.Cc1cnc(C)o1.Cc1cnc(C)s1.Cc1n[nH]c(C)n1.
What is the InChIKey of 2,6-dimethyl-1H-benzimidazole;2,7-dimethyl-3H-benzo[e]benzimidazole;bis(2,5-dimethyl-1H-imidazole);2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1H-pyrazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1H-1,2,4-triazole?
The InChIKey is KNQIMLMUMZPFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2.C9H10N2.3C5H8N2.C5H7NO.C5H7NS.C4H7N3/c1-8-3-5-11-10(7-8)4-6-12-13(11)15-9(2)14-12;1-6-3-4-8-9(5-6)11-7(2)10-8;2*1-4-3-6-5(2)7-4;1-4-3-5(2)7-6-4;2*1-4-3-6-5(2)7-4;1-3-5-4(2)7-6-3/h3-7H,1-2H3,(H,14,15);3-5H,1-2H3,(H,10,11);3*3H,1-2H3,(H,6,7);2*3H,1-2H3;1-2H3,(H,5,6,7).
What are the key properties of 2,6-dimethyl-1H-benzimidazole;2,7-dimethyl-3H-benzo[e]benzimidazole;bis(2,5-dimethyl-1H-imidazole);2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1H-pyrazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1H-1,2,4-triazole?
2,6-dimethyl-1H-benzimidazole;2,7-dimethyl-3H-benzo[e]benzimidazole;bis(2,5-dimethyl-1H-imidazole);2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1H-pyrazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1H-1,2,4-triazole has a molecular weight of 938.27 g/mol, XLogP of 12.07, 0 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-1H-benzimidazole;2,7-dimethyl-3H-benzo[e]benzimidazole;bis(2,5-dimethyl-1H-imidazole);2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1H-pyrazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1H-1,2,4-triazole is sourced from PubChem (CID 159187263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).