5-methyl-3-(4,5,6,7-tetrahydrobenzimidazol-1-ylmethyl)-1,2,4-oxadiazole

C11H14N4O — CID 115773544

IUPAC5-methyl-3-(4,5,6,7-tetrahydrobenzimidazol-1-ylmethyl)-1,2,4-oxadiazole
SMILESCc1nc(Cn2cnc3c2CCCC3)no1
InChIInChI=1S/C11H14N4O/c1-8-13-11(14-16-8)6-15-7-12-9-4-2-3-5-10(9)15/h7H,2-6H2,1H3
InChIKeyIDLVKMPCPRATDY-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.50
Rot. Bonds2

About 5-methyl-3-(4,5,6,7-tetrahydrobenzimidazol-1-ylmethyl)-1,2,4-oxadiazole

5-methyl-3-(4,5,6,7-tetrahydrobenzimidazol-1-ylmethyl)-1,2,4-oxadiazole (PubChem CID 115773544) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 5-methyl-3-(4,5,6,7-tetrahydrobenzimidazol-1-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-methyl-3-(4,5,6,7-tetrahydrobenzimidazol-1-ylmethyl)-1,2,4-oxadiazole
PubChem CID115773544
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name5-methyl-3-(4,5,6,7-tetrahydrobenzimidazol-1-ylmethyl)-1,2,4-oxadiazole
SMILESCc1nc(Cn2cnc3c2CCCC3)no1
InChIInChI=1S/C11H14N4O/c1-8-13-11(14-16-8)6-15-7-12-9-4-2-3-5-10(9)15/h7H,2-6H2,1H3
InChIKeyIDLVKMPCPRATDY-UHFFFAOYSA-N
XLogP1.50
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4,5-dimethylimidazol-1-yl)methyl]-5-methyl-1,2,4-oxadiazole
CID 115624837
6-chloro-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-one
CID 114582371
3-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-5,6,7,8-tetrahydroquinazolin-4-one
CID 163974931
5-methyl-3-[(2-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 172900478
1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,4-triazole-3-carbonitrile
CID 60709676
3-(1,4-diazepan-1-ylmethyl)-5-methyl-1,2,4-oxadiazole;dihydrochloride
CID 54592664
5-methyl-3-(pyrazolidin-1-ylmethyl)-1,2,4-oxadiazole
CID 130987725
5-methyl-3-[[5-(4-methylpiperidin-4-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole
CID 106410304
3-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]-5-propan-2-yl-1,2,4-oxadiazole
CID 115773617
N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-2-yl]methyl]ethanamine
CID 62222505
[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 106410300
2,3-dimethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-one
CID 106402142

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(4,5,6,7-tetrahydrobenzimidazol-1-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-methyl-3-(4,5,6,7-tetrahydrobenzimidazol-1-ylmethyl)-1,2,4-oxadiazole (CID 115773544) is 5-methyl-3-(4,5,6,7-tetrahydrobenzimidazol-1-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-methyl-3-(4,5,6,7-tetrahydrobenzimidazol-1-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-methyl-3-(4,5,6,7-tetrahydrobenzimidazol-1-ylmethyl)-1,2,4-oxadiazole is Cc1nc(Cn2cnc3c2CCCC3)no1.
What is the InChIKey of 5-methyl-3-(4,5,6,7-tetrahydrobenzimidazol-1-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is IDLVKMPCPRATDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-8-13-11(14-16-8)6-15-7-12-9-4-2-3-5-10(9)15/h7H,2-6H2,1H3.
What are the key properties of 5-methyl-3-(4,5,6,7-tetrahydrobenzimidazol-1-ylmethyl)-1,2,4-oxadiazole?
5-methyl-3-(4,5,6,7-tetrahydrobenzimidazol-1-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 218.26 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(4,5,6,7-tetrahydrobenzimidazol-1-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 115773544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).