1,2-dimethylimidazole;1,4-dimethylimidazole;3,5-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;1,5-dimethylpyrazole;ethane;2-methyl-1H-benzimidazole;5-methyl-1H-1,2,4-triazole

C38H58N14O — CID 162283867

IUPAC1,2-dimethylimidazole;1,4-dimethylimidazole;3,5-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;1,5-dimethylpyrazole;ethane;2-methyl-1H-benzimidazole;5-methyl-1H-1,2,4-triazole
SMILESCC.Cc1cc(C)on1.Cc1ccn(C)n1.Cc1ccnn1C.Cc1cn(C)cn1.Cc1nc2ccccc2[nH]1.Cc1nccn1C.Cc1ncn[nH]1
InChIInChI=1S/C8H8N2.4C5H8N2.C5H7NO.C3H5N3.C2H6/c1-6-9-7-4-2-3-5-8(7)10-6;1-5-3-7(2)4-6-5;1-5-6-3-4-7(5)2;1-5-3-4-7(2)6-5;1-5-3-4-6-7(5)2;1-4-3-5(2)7-6-4;1-3-4-2-5-6-3;1-2/h2-5H,1H3,(H,9,10);4*3-4H,1-2H3;3H,1-2H3;2H,1H3,(H,4,5,6);1-2H3
InChIKeyMJYVDKXVMSIAMP-UHFFFAOYSA-N
MW726.98 g/mol
LogP7.22
Rot. Bonds

About 1,2-dimethylimidazole;1,4-dimethylimidazole;3,5-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;1,5-dimethylpyrazole;ethane;2-methyl-1H-benzimidazole;5-methyl-1H-1,2,4-triazole

1,2-dimethylimidazole;1,4-dimethylimidazole;3,5-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;1,5-dimethylpyrazole;ethane;2-methyl-1H-benzimidazole;5-methyl-1H-1,2,4-triazole (PubChem CID 162283867) has the molecular formula C38H58N14O and a molecular weight of 726.98 g/mol. Its IUPAC name is 1,2-dimethylimidazole;1,4-dimethylimidazole;3,5-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;1,5-dimethylpyrazole;ethane;2-methyl-1H-benzimidazole;5-methyl-1H-1,2,4-triazole.

Molecular Properties

Compound Name1,2-dimethylimidazole;1,4-dimethylimidazole;3,5-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;1,5-dimethylpyrazole;ethane;2-methyl-1H-benzimidazole;5-methyl-1H-1,2,4-triazole
PubChem CID162283867
Molecular FormulaC38H58N14O
Molecular Weight726.98 g/mol
Exact Mass726.49
IUPAC Name1,2-dimethylimidazole;1,4-dimethylimidazole;3,5-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;1,5-dimethylpyrazole;ethane;2-methyl-1H-benzimidazole;5-methyl-1H-1,2,4-triazole
SMILESCC.Cc1cc(C)on1.Cc1ccn(C)n1.Cc1ccnn1C.Cc1cn(C)cn1.Cc1nc2ccccc2[nH]1.Cc1nccn1C.Cc1ncn[nH]1
InChIInChI=1S/C8H8N2.4C5H8N2.C5H7NO.C3H5N3.C2H6/c1-6-9-7-4-2-3-5-8(7)10-6;1-5-3-7(2)4-6-5;1-5-6-3-4-7(5)2;1-5-3-4-7(2)6-5;1-5-3-4-6-7(5)2;1-4-3-5(2)7-6-4;1-3-4-2-5-6-3;1-2/h2-5H,1H3,(H,9,10);4*3-4H,1-2H3;3H,1-2H3;2H,1H3,(H,4,5,6);1-2H3
InChIKeyMJYVDKXVMSIAMP-UHFFFAOYSA-N
XLogP7.22
TPSA167.56 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500726.98
LogP ≤ 57.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze 1,2-dimethylimidazole;1,4-dimethylimidazole;3,5-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;1,5-dimethylpyrazole;ethane;2-methyl-1H-benzimidazole;5-methyl-1H-1,2,4-triazole with MolForge

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Related Compounds

N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-methyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxamide
CID 136073449
4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(1-phenyltriazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 118334994
2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(1-phenyltriazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine
CID 126585788
1-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)pyrazolo[4,5-b]pyridin-6-amine
CID 134198098
2-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)pyrazolo[4,3-b]pyridin-6-amine
CID 134198101
N-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazolo[4,5-b]pyridin-6-yl]-2H-pyrazolo[3,4-b]pyrazin-3-amine
CID 134198107
N-[2-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazolo[4,3-b]pyridin-6-yl]-2H-pyrazolo[3,4-b]pyrazin-3-amine
CID 134198108
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 136073265
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 136073286
3-[1-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-2-pyridazin-3-yl-5-(1H-pyrrol-2-yl)-3-(2H-tetrazol-5-yl)-2-(2H-triazol-4-yl)-4H-pyrimidin-6-yl]-1,2-oxazole
CID 141271208
4-tert-butyl-1,5-dimethylimidazole;2-tert-butyl-5-methyl-1H-imidazole;4-tert-butyl-1-methylimidazole;5-tert-butyl-2-methyl-1H-imidazole;5-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;4-tert-butyl-1-methyltriazole
CID 157797012
4-tert-butyl-1,5-dimethylimidazole;2-tert-butyl-5-methyl-1H-imidazole;4-tert-butyl-1-methylimidazole;5-tert-butyl-2-methyl-1H-imidazole;5-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;4-tert-butyl-1-methyltriazole;methane
CID 157837935

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylimidazole;1,4-dimethylimidazole;3,5-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;1,5-dimethylpyrazole;ethane;2-methyl-1H-benzimidazole;5-methyl-1H-1,2,4-triazole?
The IUPAC name of 1,2-dimethylimidazole;1,4-dimethylimidazole;3,5-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;1,5-dimethylpyrazole;ethane;2-methyl-1H-benzimidazole;5-methyl-1H-1,2,4-triazole (CID 162283867) is 1,2-dimethylimidazole;1,4-dimethylimidazole;3,5-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;1,5-dimethylpyrazole;ethane;2-methyl-1H-benzimidazole;5-methyl-1H-1,2,4-triazole.
What is the SMILES notation for 1,2-dimethylimidazole;1,4-dimethylimidazole;3,5-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;1,5-dimethylpyrazole;ethane;2-methyl-1H-benzimidazole;5-methyl-1H-1,2,4-triazole?
The canonical SMILES for 1,2-dimethylimidazole;1,4-dimethylimidazole;3,5-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;1,5-dimethylpyrazole;ethane;2-methyl-1H-benzimidazole;5-methyl-1H-1,2,4-triazole is CC.Cc1cc(C)on1.Cc1ccn(C)n1.Cc1ccnn1C.Cc1cn(C)cn1.Cc1nc2ccccc2[nH]1.Cc1nccn1C.Cc1ncn[nH]1.
What is the InChIKey of 1,2-dimethylimidazole;1,4-dimethylimidazole;3,5-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;1,5-dimethylpyrazole;ethane;2-methyl-1H-benzimidazole;5-methyl-1H-1,2,4-triazole?
The InChIKey is MJYVDKXVMSIAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2.4C5H8N2.C5H7NO.C3H5N3.C2H6/c1-6-9-7-4-2-3-5-8(7)10-6;1-5-3-7(2)4-6-5;1-5-6-3-4-7(5)2;1-5-3-4-7(2)6-5;1-5-3-4-6-7(5)2;1-4-3-5(2)7-6-4;1-3-4-2-5-6-3;1-2/h2-5H,1H3,(H,9,10);4*3-4H,1-2H3;3H,1-2H3;2H,1H3,(H,4,5,6);1-2H3.
What are the key properties of 1,2-dimethylimidazole;1,4-dimethylimidazole;3,5-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;1,5-dimethylpyrazole;ethane;2-methyl-1H-benzimidazole;5-methyl-1H-1,2,4-triazole?
1,2-dimethylimidazole;1,4-dimethylimidazole;3,5-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;1,5-dimethylpyrazole;ethane;2-methyl-1H-benzimidazole;5-methyl-1H-1,2,4-triazole has a molecular weight of 726.98 g/mol, XLogP of 7.22, 0 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylimidazole;1,4-dimethylimidazole;3,5-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;1,5-dimethylpyrazole;ethane;2-methyl-1H-benzimidazole;5-methyl-1H-1,2,4-triazole is sourced from PubChem (CID 162283867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).