3-[2-(1H-benzimidazol-2-yl)ethyl]-5-methyl-1,2-benzoxazole

C17H15N3O — CID 71524265

IUPAC3-[2-(1H-benzimidazol-2-yl)ethyl]-5-methyl-1,2-benzoxazole
SMILESCc1ccc2onc(CCc3nc4ccccc4[nH]3)c2c1
InChIInChI=1S/C17H15N3O/c1-11-6-8-16-12(10-11)13(20-21-16)7-9-17-18-14-4-2-3-5-15(14)19-17/h2-6,8,10H,7,9H2,1H3,(H,18,19)
InChIKeyVYEDJWMVMODCKK-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.80
Rot. Bonds3

About 3-[2-(1H-benzimidazol-2-yl)ethyl]-5-methyl-1,2-benzoxazole

3-[2-(1H-benzimidazol-2-yl)ethyl]-5-methyl-1,2-benzoxazole (PubChem CID 71524265) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 3-[2-(1H-benzimidazol-2-yl)ethyl]-5-methyl-1,2-benzoxazole.

Molecular Properties

Compound Name3-[2-(1H-benzimidazol-2-yl)ethyl]-5-methyl-1,2-benzoxazole
PubChem CID71524265
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name3-[2-(1H-benzimidazol-2-yl)ethyl]-5-methyl-1,2-benzoxazole
SMILESCc1ccc2onc(CCc3nc4ccccc4[nH]3)c2c1
InChIInChI=1S/C17H15N3O/c1-11-6-8-16-12(10-11)13(20-21-16)7-9-17-18-14-4-2-3-5-15(14)19-17/h2-6,8,10H,7,9H2,1H3,(H,18,19)
InChIKeyVYEDJWMVMODCKK-UHFFFAOYSA-N
XLogP3.80
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(1H-benzimidazol-2-yl)ethyl]-5-methyl-1,2-benzoxazole?
The IUPAC name of 3-[2-(1H-benzimidazol-2-yl)ethyl]-5-methyl-1,2-benzoxazole (CID 71524265) is 3-[2-(1H-benzimidazol-2-yl)ethyl]-5-methyl-1,2-benzoxazole.
What is the SMILES notation for 3-[2-(1H-benzimidazol-2-yl)ethyl]-5-methyl-1,2-benzoxazole?
The canonical SMILES for 3-[2-(1H-benzimidazol-2-yl)ethyl]-5-methyl-1,2-benzoxazole is Cc1ccc2onc(CCc3nc4ccccc4[nH]3)c2c1.
What is the InChIKey of 3-[2-(1H-benzimidazol-2-yl)ethyl]-5-methyl-1,2-benzoxazole?
The InChIKey is VYEDJWMVMODCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-11-6-8-16-12(10-11)13(20-21-16)7-9-17-18-14-4-2-3-5-15(14)19-17/h2-6,8,10H,7,9H2,1H3,(H,18,19).
What are the key properties of 3-[2-(1H-benzimidazol-2-yl)ethyl]-5-methyl-1,2-benzoxazole?
3-[2-(1H-benzimidazol-2-yl)ethyl]-5-methyl-1,2-benzoxazole has a molecular weight of 277.33 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1H-benzimidazol-2-yl)ethyl]-5-methyl-1,2-benzoxazole is sourced from PubChem (CID 71524265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).