5-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-3-(methoxymethyl)-1,2,4-oxadiazole

C15H18N4O2 — CID 56858288

IUPAC5-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-3-(methoxymethyl)-1,2,4-oxadiazole
SMILESCOCc1noc(CCc2nc3cc(C)c(C)cc3[nH]2)n1
InChIInChI=1S/C15H18N4O2/c1-9-6-11-12(7-10(9)2)17-13(16-11)4-5-15-18-14(8-20-3)19-21-15/h6-7H,4-5,8H2,1-3H3,(H,16,17)
InChIKeyTUBOLNHUONOPOR-UHFFFAOYSA-N
MW286.34 g/mol
LogP2.49
Rot. Bonds5

About 5-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-3-(methoxymethyl)-1,2,4-oxadiazole

5-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-3-(methoxymethyl)-1,2,4-oxadiazole (PubChem CID 56858288) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 5-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-3-(methoxymethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-3-(methoxymethyl)-1,2,4-oxadiazole
PubChem CID56858288
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name5-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-3-(methoxymethyl)-1,2,4-oxadiazole
SMILESCOCc1noc(CCc2nc3cc(C)c(C)cc3[nH]2)n1
InChIInChI=1S/C15H18N4O2/c1-9-6-11-12(7-10(9)2)17-13(16-11)4-5-15-18-14(8-20-3)19-21-15/h6-7H,4-5,8H2,1-3H3,(H,16,17)
InChIKeyTUBOLNHUONOPOR-UHFFFAOYSA-N
XLogP2.49
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(4-methoxyphenyl)ethyl]-5,6-dimethyl-1H-benzimidazole
CID 60979184
tetrakis(5,6-dimethyl-2-(2-phenylethyl)-1H-benzimidazole);dihydrate
CID 139062819
3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-methylpropan-1-amine
CID 62336189
4-(5,6-dimethyl-1H-benzimidazol-2-yl)butan-2-ol
CID 79200644
3-[(5,6-dimethyl-3H-benzimidazol-1-ium-1-yl)methyl]-5-(methoxymethyl)-1,2,4-oxadiazole
CID 160983131
2-(methoxymethyl)-6-methyl-5-(trifluoromethyl)-1H-benzimidazole
CID 143625976
3-[3-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]-N-(3,5-dimethylphenyl)propanamide
CID 50811981
3-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-amine
CID 54978293
4-(1H-benzimidazol-2-yl)-N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]butanamide
CID 91917705
2-[[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethylamino]methyl]-6,8-dimethyl-1H-quinolin-4-one
CID 72931273
5,6-dimethoxy-2-[2-(4-methylphenyl)ethyl]-1H-benzimidazole
CID 39158365
N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]hexan-1-amine
CID 82336896

Frequently Asked Questions

What is the IUPAC name of 5-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-3-(methoxymethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-3-(methoxymethyl)-1,2,4-oxadiazole (CID 56858288) is 5-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-3-(methoxymethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-3-(methoxymethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-3-(methoxymethyl)-1,2,4-oxadiazole is COCc1noc(CCc2nc3cc(C)c(C)cc3[nH]2)n1.
What is the InChIKey of 5-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-3-(methoxymethyl)-1,2,4-oxadiazole?
The InChIKey is TUBOLNHUONOPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-9-6-11-12(7-10(9)2)17-13(16-11)4-5-15-18-14(8-20-3)19-21-15/h6-7H,4-5,8H2,1-3H3,(H,16,17).
What are the key properties of 5-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-3-(methoxymethyl)-1,2,4-oxadiazole?
5-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-3-(methoxymethyl)-1,2,4-oxadiazole has a molecular weight of 286.34 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-3-(methoxymethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 56858288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).