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

C14H16N4O — CID 112724026

IUPAC5-[(2-methylbenzimidazol-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCc1nc2ccccc2n1Cc1nc(C(C)C)no1
InChIInChI=1S/C14H16N4O/c1-9(2)14-16-13(19-17-14)8-18-10(3)15-11-6-4-5-7-12(11)18/h4-7,9H,8H2,1-3H3
InChIKeyLBJFEEGHIPEYFR-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.90
Rot. Bonds3

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

5-[(2-methylbenzimidazol-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 112724026) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 5-[(2-methylbenzimidazol-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2-methylbenzimidazol-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole
PubChem CID112724026
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name5-[(2-methylbenzimidazol-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCc1nc2ccccc2n1Cc1nc(C(C)C)no1
InChIInChI=1S/C14H16N4O/c1-9(2)14-16-13(19-17-14)8-18-10(3)15-11-6-4-5-7-12(11)18/h4-7,9H,8H2,1-3H3
InChIKeyLBJFEEGHIPEYFR-UHFFFAOYSA-N
XLogP2.90
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyclopropyl-5-[(2-methylbenzimidazol-1-yl)methyl]-1,2,4-oxadiazole
CID 112728287
2-methyl-1-[[2-[(2-methylbenzimidazol-1-yl)methyl]phenyl]methyl]benzimidazole
CID 154733183
[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]indol-3-yl]methanol
CID 66399089
3-methyl-1-[5-[[2-(methylsulfonylmethyl)benzimidazol-1-yl]methyl]-1,2,4-oxadiazol-3-yl]butan-1-amine
CID 167761987
1-(2,2-dimethylpropyl)-2-methylbenzimidazole
CID 21060284
2-(2-methylbenzimidazol-1-yl)ethane-1,1-diol
CID 134100901
(2S)-4-(2-methylbenzimidazol-1-yl)butan-2-ol
CID 139248448
2-methyl-5-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazole
CID 78971489
1-[(2-chlorophenyl)methyl]-2-methylbenzimidazole
CID 709571
5-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazole
CID 112644464
3-methyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-one
CID 115637804
5-[(2-propan-2-ylsulfanylbenzimidazol-1-yl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 25330962

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylbenzimidazol-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(2-methylbenzimidazol-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole (CID 112724026) is 5-[(2-methylbenzimidazol-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2-methylbenzimidazol-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2-methylbenzimidazol-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole is Cc1nc2ccccc2n1Cc1nc(C(C)C)no1.
What is the InChIKey of 5-[(2-methylbenzimidazol-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is LBJFEEGHIPEYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-9(2)14-16-13(19-17-14)8-18-10(3)15-11-6-4-5-7-12(11)18/h4-7,9H,8H2,1-3H3.
What are the key properties of 5-[(2-methylbenzimidazol-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole?
5-[(2-methylbenzimidazol-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 256.31 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylbenzimidazol-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 112724026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).