4-(6-ethyl-1H-benzimidazol-2-yl)-3,5-dimethyl-1,2-oxazole

C14H15N3O — CID 97245792

IUPAC4-(6-ethyl-1H-benzimidazol-2-yl)-3,5-dimethyl-1,2-oxazole
SMILESCCc1ccc2nc(-c3c(C)noc3C)[nH]c2c1
InChIInChI=1S/C14H15N3O/c1-4-10-5-6-11-12(7-10)16-14(15-11)13-8(2)17-18-9(13)3/h5-7H,4H2,1-3H3,(H,15,16)
InChIKeySGZWVCQFBWFYMU-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.40
Rot. Bonds2

About 4-(6-ethyl-1H-benzimidazol-2-yl)-3,5-dimethyl-1,2-oxazole

4-(6-ethyl-1H-benzimidazol-2-yl)-3,5-dimethyl-1,2-oxazole (PubChem CID 97245792) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 4-(6-ethyl-1H-benzimidazol-2-yl)-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-(6-ethyl-1H-benzimidazol-2-yl)-3,5-dimethyl-1,2-oxazole
PubChem CID97245792
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name4-(6-ethyl-1H-benzimidazol-2-yl)-3,5-dimethyl-1,2-oxazole
SMILESCCc1ccc2nc(-c3c(C)noc3C)[nH]c2c1
InChIInChI=1S/C14H15N3O/c1-4-10-5-6-11-12(7-10)16-14(15-11)13-8(2)17-18-9(13)3/h5-7H,4H2,1-3H3,(H,15,16)
InChIKeySGZWVCQFBWFYMU-UHFFFAOYSA-N
XLogP3.40
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(6-ethyl-1H-benzimidazol-2-yl)-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-(6-ethyl-1H-benzimidazol-2-yl)-3,5-dimethyl-1,2-oxazole (CID 97245792) is 4-(6-ethyl-1H-benzimidazol-2-yl)-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-(6-ethyl-1H-benzimidazol-2-yl)-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-(6-ethyl-1H-benzimidazol-2-yl)-3,5-dimethyl-1,2-oxazole is CCc1ccc2nc(-c3c(C)noc3C)[nH]c2c1.
What is the InChIKey of 4-(6-ethyl-1H-benzimidazol-2-yl)-3,5-dimethyl-1,2-oxazole?
The InChIKey is SGZWVCQFBWFYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-4-10-5-6-11-12(7-10)16-14(15-11)13-8(2)17-18-9(13)3/h5-7H,4H2,1-3H3,(H,15,16).
What are the key properties of 4-(6-ethyl-1H-benzimidazol-2-yl)-3,5-dimethyl-1,2-oxazole?
4-(6-ethyl-1H-benzimidazol-2-yl)-3,5-dimethyl-1,2-oxazole has a molecular weight of 241.29 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-ethyl-1H-benzimidazol-2-yl)-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 97245792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).