5-(benzimidazol-1-ylmethyl)-3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazole

C19H18N4O4 — CID 56871077

IUPAC5-(benzimidazol-1-ylmethyl)-3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(Cn3cnc4ccccc43)n2)c(OC)c1OC
InChIInChI=1S/C19H18N4O4/c1-24-15-9-8-12(17(25-2)18(15)26-3)19-21-16(27-22-19)10-23-11-20-13-6-4-5-7-14(13)23/h4-9,11H,10H2,1-3H3
InChIKeyZVQUGYHALJFFBD-UHFFFAOYSA-N
MW366.38 g/mol
LogP3.16
Rot. Bonds6

About 5-(benzimidazol-1-ylmethyl)-3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazole

5-(benzimidazol-1-ylmethyl)-3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazole (PubChem CID 56871077) has the molecular formula C19H18N4O4 and a molecular weight of 366.38 g/mol. Its IUPAC name is 5-(benzimidazol-1-ylmethyl)-3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(benzimidazol-1-ylmethyl)-3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazole
PubChem CID56871077
Molecular FormulaC19H18N4O4
Molecular Weight366.38 g/mol
Exact Mass366.13
IUPAC Name5-(benzimidazol-1-ylmethyl)-3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(Cn3cnc4ccccc43)n2)c(OC)c1OC
InChIInChI=1S/C19H18N4O4/c1-24-15-9-8-12(17(25-2)18(15)26-3)19-21-16(27-22-19)10-23-11-20-13-6-4-5-7-14(13)23/h4-9,11H,10H2,1-3H3
InChIKeyZVQUGYHALJFFBD-UHFFFAOYSA-N
XLogP3.16
TPSA84.43 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

5-(5,6-dihydro-4H-cyclopenta[c]pyrazol-2-ylmethyl)-3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazole
CID 56875267
5-[(2-pyridin-2-ylpiperidin-1-yl)methyl]-3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazole
CID 45219769
5-[[(3S)-3-(2-chlorophenyl)pyrrolidin-1-yl]methyl]-3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazole
CID 28737717
2-[[3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide
CID 56868729
5-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazole
CID 45203283
[3-(2-chloro-3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117427190
5-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 27559629
[3-(benzimidazol-1-ylmethyl)-4-methoxyphenyl]methanamine
CID 62016875
7-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-dimethylpurine-2,6-dione
CID 40672171
[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
CID 86261810
5-(indazol-1-ylmethyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 29153480
(2R)-N,2-dimethyl-3-pyrrolidin-1-yl-N-[[3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
CID 28735562

Frequently Asked Questions

What is the IUPAC name of 5-(benzimidazol-1-ylmethyl)-3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(benzimidazol-1-ylmethyl)-3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazole (CID 56871077) is 5-(benzimidazol-1-ylmethyl)-3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(benzimidazol-1-ylmethyl)-3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(benzimidazol-1-ylmethyl)-3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazole is COc1ccc(-c2noc(Cn3cnc4ccccc43)n2)c(OC)c1OC.
What is the InChIKey of 5-(benzimidazol-1-ylmethyl)-3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is ZVQUGYHALJFFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4/c1-24-15-9-8-12(17(25-2)18(15)26-3)19-21-16(27-22-19)10-23-11-20-13-6-4-5-7-14(13)23/h4-9,11H,10H2,1-3H3.
What are the key properties of 5-(benzimidazol-1-ylmethyl)-3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazole?
5-(benzimidazol-1-ylmethyl)-3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 366.38 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzimidazol-1-ylmethyl)-3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 56871077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).