3-cyclopropyl-5-[(2-methylbenzimidazol-1-yl)methyl]-1,2,4-oxadiazole

C14H14N4O — CID 112728287

IUPAC3-cyclopropyl-5-[(2-methylbenzimidazol-1-yl)methyl]-1,2,4-oxadiazole
SMILESCc1nc2ccccc2n1Cc1nc(C2CC2)no1
InChIInChI=1S/C14H14N4O/c1-9-15-11-4-2-3-5-12(11)18(9)8-13-16-14(17-19-13)10-6-7-10/h2-5,10H,6-8H2,1H3
InChIKeyMWEIUZUZNRLNOE-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.65
Rot. Bonds3

About 3-cyclopropyl-5-[(2-methylbenzimidazol-1-yl)methyl]-1,2,4-oxadiazole

3-cyclopropyl-5-[(2-methylbenzimidazol-1-yl)methyl]-1,2,4-oxadiazole (PubChem CID 112728287) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-cyclopropyl-5-[(2-methylbenzimidazol-1-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[(2-methylbenzimidazol-1-yl)methyl]-1,2,4-oxadiazole
PubChem CID112728287
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name3-cyclopropyl-5-[(2-methylbenzimidazol-1-yl)methyl]-1,2,4-oxadiazole
SMILESCc1nc2ccccc2n1Cc1nc(C2CC2)no1
InChIInChI=1S/C14H14N4O/c1-9-15-11-4-2-3-5-12(11)18(9)8-13-16-14(17-19-13)10-6-7-10/h2-5,10H,6-8H2,1H3
InChIKeyMWEIUZUZNRLNOE-UHFFFAOYSA-N
XLogP2.65
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyclopropyl-5-[[2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-1-yl]methyl]-1,2,4-oxadiazole
CID 75423002
5-[(2-methylbenzimidazol-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 112724026
3-(oxolan-3-yl)-5-[(2-propan-2-ylbenzimidazol-1-yl)methyl]-1,2,4-oxadiazole
CID 72856359
2-methyl-1-[[2-[(2-methylbenzimidazol-1-yl)methyl]phenyl]methyl]benzimidazole
CID 154733183
1-(cyclopentylmethyl)-2-methylbenzimidazole
CID 112728278
5-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazole
CID 112644464
3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-methylimidazole-4-carboxylic acid
CID 65172849
3-(1-methylpiperazin-2-yl)-5-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]-1,2,4-oxadiazole
CID 120959607
2-cyclopropyl-1-[(2,5-dimethylphenyl)methyl]benzimidazole
CID 18878588
2-methyl-5-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazole
CID 78971489
2-tert-butyl-4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-1,2,4-triazol-3-one
CID 75505888
2-methyl-1-[3-(oxolan-2-yl)propyl]benzimidazole
CID 79762204

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[(2-methylbenzimidazol-1-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopropyl-5-[(2-methylbenzimidazol-1-yl)methyl]-1,2,4-oxadiazole (CID 112728287) is 3-cyclopropyl-5-[(2-methylbenzimidazol-1-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[(2-methylbenzimidazol-1-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopropyl-5-[(2-methylbenzimidazol-1-yl)methyl]-1,2,4-oxadiazole is Cc1nc2ccccc2n1Cc1nc(C2CC2)no1.
What is the InChIKey of 3-cyclopropyl-5-[(2-methylbenzimidazol-1-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is MWEIUZUZNRLNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-9-15-11-4-2-3-5-12(11)18(9)8-13-16-14(17-19-13)10-6-7-10/h2-5,10H,6-8H2,1H3.
What are the key properties of 3-cyclopropyl-5-[(2-methylbenzimidazol-1-yl)methyl]-1,2,4-oxadiazole?
3-cyclopropyl-5-[(2-methylbenzimidazol-1-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 254.29 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[(2-methylbenzimidazol-1-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 112728287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).