2-(4,5-dichloro-1H-imidazol-2-yl)-1,3-benzoxazole

C10H5Cl2N3O — CID 20511918

IUPAC2-(4,5-dichloro-1H-imidazol-2-yl)-1,3-benzoxazole
SMILESClc1nc(-c2nc3ccccc3o2)[nH]c1Cl
InChIInChI=1S/C10H5Cl2N3O/c11-7-8(12)15-9(14-7)10-13-5-3-1-2-4-6(5)16-10/h1-4H,(H,14,15)
InChIKeyYAYBLQKCKRHBHM-UHFFFAOYSA-N
MW254.08 g/mol
LogP3.52
Rot. Bonds1

About 2-(4,5-dichloro-1H-imidazol-2-yl)-1,3-benzoxazole

2-(4,5-dichloro-1H-imidazol-2-yl)-1,3-benzoxazole (PubChem CID 20511918) has the molecular formula C10H5Cl2N3O and a molecular weight of 254.08 g/mol. Its IUPAC name is 2-(4,5-dichloro-1H-imidazol-2-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(4,5-dichloro-1H-imidazol-2-yl)-1,3-benzoxazole
PubChem CID20511918
Molecular FormulaC10H5Cl2N3O
Molecular Weight254.08 g/mol
Exact Mass252.98
IUPAC Name2-(4,5-dichloro-1H-imidazol-2-yl)-1,3-benzoxazole
SMILESClc1nc(-c2nc3ccccc3o2)[nH]c1Cl
InChIInChI=1S/C10H5Cl2N3O/c11-7-8(12)15-9(14-7)10-13-5-3-1-2-4-6(5)16-10/h1-4H,(H,14,15)
InChIKeyYAYBLQKCKRHBHM-UHFFFAOYSA-N
XLogP3.52
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.08
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[6-(1,3-benzoxazol-2-yl)-2-pyridinyl]-1,3-benzoxazole
CID 651855
3-(1,3-benzoxazol-2-yl)-1,4-dihydro-1,2,4-triazol-5-one
CID 135593869
2-(2-chlorophenyl)-1,3-benzoxazole
CID 3014177
2-(1H-benzimidazol-2-yl)-5-chloro-1,3-benzoxazole
CID 135692693
2-(3,4,5-trichlorophenyl)-1,3-benzoxazole
CID 50849649
CID 139174937
CID 139174937
2-[3-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 762888
2-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)-1,3-benzoxazole
CID 166582820
2-[3-(3-chlorophenyl)phenyl]-1,3-benzoxazole
CID 166583056
2-pyridin-4-yl-1,3-benzoxazole
CID 16804
2-[2-(4-phenylphenyl)phenyl]-1,3-benzoxazole
CID 19044929
2-(1-benzofuran-2-yl)-1,3-benzoxazole
CID 9323121

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dichloro-1H-imidazol-2-yl)-1,3-benzoxazole?
The IUPAC name of 2-(4,5-dichloro-1H-imidazol-2-yl)-1,3-benzoxazole (CID 20511918) is 2-(4,5-dichloro-1H-imidazol-2-yl)-1,3-benzoxazole.
What is the SMILES notation for 2-(4,5-dichloro-1H-imidazol-2-yl)-1,3-benzoxazole?
The canonical SMILES for 2-(4,5-dichloro-1H-imidazol-2-yl)-1,3-benzoxazole is Clc1nc(-c2nc3ccccc3o2)[nH]c1Cl.
What is the InChIKey of 2-(4,5-dichloro-1H-imidazol-2-yl)-1,3-benzoxazole?
The InChIKey is YAYBLQKCKRHBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl2N3O/c11-7-8(12)15-9(14-7)10-13-5-3-1-2-4-6(5)16-10/h1-4H,(H,14,15).
What are the key properties of 2-(4,5-dichloro-1H-imidazol-2-yl)-1,3-benzoxazole?
2-(4,5-dichloro-1H-imidazol-2-yl)-1,3-benzoxazole has a molecular weight of 254.08 g/mol, XLogP of 3.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dichloro-1H-imidazol-2-yl)-1,3-benzoxazole is sourced from PubChem (CID 20511918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).