1H-benzimidazole;1,3-benzoxazole

C14H11N3O — CID 66808808

IUPAC1H-benzimidazole;1,3-benzoxazole
SMILESc1ccc2[nH]cnc2c1.c1ccc2ocnc2c1
InChIInChI=1S/C7H6N2.C7H5NO/c2*1-2-4-7-6(3-1)8-5-9-7/h1-5H,(H,8,9);1-5H
InChIKeyBLTNRWHQXXWAOO-UHFFFAOYSA-N
MW237.26 g/mol
LogP3.39
Rot. Bonds

About 1H-benzimidazole;1,3-benzoxazole

1H-benzimidazole;1,3-benzoxazole (PubChem CID 66808808) has the molecular formula C14H11N3O and a molecular weight of 237.26 g/mol. Its IUPAC name is 1H-benzimidazole;1,3-benzoxazole.

Molecular Properties

Compound Name1H-benzimidazole;1,3-benzoxazole
PubChem CID66808808
Molecular FormulaC14H11N3O
Molecular Weight237.26 g/mol
Exact Mass237.09
IUPAC Name1H-benzimidazole;1,3-benzoxazole
SMILESc1ccc2[nH]cnc2c1.c1ccc2ocnc2c1
InChIInChI=1S/C7H6N2.C7H5NO/c2*1-2-4-7-6(3-1)8-5-9-7/h1-5H,(H,8,9);1-5H
InChIKeyBLTNRWHQXXWAOO-UHFFFAOYSA-N
XLogP3.39
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazole;1,3-benzoxazole?
The IUPAC name of 1H-benzimidazole;1,3-benzoxazole (CID 66808808) is 1H-benzimidazole;1,3-benzoxazole.
What is the SMILES notation for 1H-benzimidazole;1,3-benzoxazole?
The canonical SMILES for 1H-benzimidazole;1,3-benzoxazole is c1ccc2[nH]cnc2c1.c1ccc2ocnc2c1.
What is the InChIKey of 1H-benzimidazole;1,3-benzoxazole?
The InChIKey is BLTNRWHQXXWAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2.C7H5NO/c2*1-2-4-7-6(3-1)8-5-9-7/h1-5H,(H,8,9);1-5H.
What are the key properties of 1H-benzimidazole;1,3-benzoxazole?
1H-benzimidazole;1,3-benzoxazole has a molecular weight of 237.26 g/mol, XLogP of 3.39, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazole;1,3-benzoxazole is sourced from PubChem (CID 66808808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).