3-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]-5-propan-2-yl-1,2,4-oxadiazole

C14H20N4O — CID 115773617

IUPAC3-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]-5-propan-2-yl-1,2,4-oxadiazole
SMILESCc1nc2c(n1Cc1noc(C(C)C)n1)CCCC2
InChIInChI=1S/C14H20N4O/c1-9(2)14-16-13(17-19-14)8-18-10(3)15-11-6-4-5-7-12(11)18/h9H,4-8H2,1-3H3
InChIKeyJJKWDRBNQGQWTJ-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.63
Rot. Bonds3

About 3-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]-5-propan-2-yl-1,2,4-oxadiazole

3-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]-5-propan-2-yl-1,2,4-oxadiazole (PubChem CID 115773617) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]-5-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]-5-propan-2-yl-1,2,4-oxadiazole
PubChem CID115773617
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name3-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]-5-propan-2-yl-1,2,4-oxadiazole
SMILESCc1nc2c(n1Cc1noc(C(C)C)n1)CCCC2
InChIInChI=1S/C14H20N4O/c1-9(2)14-16-13(17-19-14)8-18-10(3)15-11-6-4-5-7-12(11)18/h9H,4-8H2,1-3H3
InChIKeyJJKWDRBNQGQWTJ-UHFFFAOYSA-N
XLogP2.63
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]-5-propan-2-yl-1,2,4-oxadiazole with MolForge

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Related Compounds

1-[(3,5-dimethylphenyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole
CID 116626608
1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione
CID 81109277
3-methyl-1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-ol
CID 113343938
1-[(4-methoxyphenyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole
CID 116626601
6-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]quinoline
CID 116626693
1-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole
CID 103174131
N-[[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 63241895
N-methyl-1-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methanamine
CID 54959399
1-but-2-ynyl-2-methyl-4,5,6,7-tetrahydrobenzimidazole
CID 115773580
2-methyl-1-[(1-methylpyrazol-3-yl)methyl]-4,5,6,7-tetrahydrobenzimidazole
CID 113343350
1-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole
CID 116626720
N-methyl-1-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methanamine
CID 81490982

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]-5-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]-5-propan-2-yl-1,2,4-oxadiazole (CID 115773617) is 3-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]-5-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]-5-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]-5-propan-2-yl-1,2,4-oxadiazole is Cc1nc2c(n1Cc1noc(C(C)C)n1)CCCC2.
What is the InChIKey of 3-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]-5-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is JJKWDRBNQGQWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-9(2)14-16-13(17-19-14)8-18-10(3)15-11-6-4-5-7-12(11)18/h9H,4-8H2,1-3H3.
What are the key properties of 3-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]-5-propan-2-yl-1,2,4-oxadiazole?
3-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]-5-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 260.34 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]-5-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 115773617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).