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

C10H8ClN3O — CID 119091936

IUPAC5-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzoxazole
SMILESClc1ccc2oc(C3=NCCN3)nc2c1
InChIInChI=1S/C10H8ClN3O/c11-6-1-2-8-7(5-6)14-10(15-8)9-12-3-4-13-9/h1-2,5H,3-4H2,(H,12,13)
InChIKeyIMHHGJAIMWNHQR-UHFFFAOYSA-N
MW221.65 g/mol
LogP1.83
Rot. Bonds1

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

5-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzoxazole (PubChem CID 119091936) has the molecular formula C10H8ClN3O and a molecular weight of 221.65 g/mol. Its IUPAC name is 5-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name5-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzoxazole
PubChem CID119091936
Molecular FormulaC10H8ClN3O
Molecular Weight221.65 g/mol
Exact Mass221.04
IUPAC Name5-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzoxazole
SMILESClc1ccc2oc(C3=NCCN3)nc2c1
InChIInChI=1S/C10H8ClN3O/c11-6-1-2-8-7(5-6)14-10(15-8)9-12-3-4-13-9/h1-2,5H,3-4H2,(H,12,13)
InChIKeyIMHHGJAIMWNHQR-UHFFFAOYSA-N
XLogP1.83
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.65
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4,5-dihydro-1H-imidazol-2-yl)-5-methyl-1,3-benzoxazole
CID 119091935
5-chloro-2-(2,5-dichlorophenyl)-1,3-benzoxazole
CID 95911053
2-[5-chloro-2-(3-chlorophenyl)-1-benzofuran-3-yl]-4,5-dihydro-1H-imidazole
CID 10236778
5-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)phenol
CID 137272912
2-(1H-benzimidazol-2-yl)-5-chloro-1,3-benzoxazole
CID 135692693
5-chloro-2-methyl-1,3-benzoxazole
CID 29510
5-chloro-2-(3,5-dimethoxyphenyl)-1,3-benzoxazole
CID 839464
2-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]ethanamine
CID 43665734
2-(5-bromo-3-pyridinyl)-5-chloro-1,3-benzoxazole
CID 95909945
2-[4-(bromomethyl)phenyl]-5-chloro-1,3-benzoxazole
CID 14074210
5-(5-chloro-1,3-benzoxazol-2-yl)-1H-pyrimidin-2-one
CID 606459
5-chloro-2-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-1,3-benzoxazole
CID 827452

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzoxazole?
The IUPAC name of 5-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzoxazole (CID 119091936) is 5-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzoxazole.
What is the SMILES notation for 5-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzoxazole?
The canonical SMILES for 5-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzoxazole is Clc1ccc2oc(C3=NCCN3)nc2c1.
What is the InChIKey of 5-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzoxazole?
The InChIKey is IMHHGJAIMWNHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O/c11-6-1-2-8-7(5-6)14-10(15-8)9-12-3-4-13-9/h1-2,5H,3-4H2,(H,12,13).
What are the key properties of 5-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzoxazole?
5-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzoxazole has a molecular weight of 221.65 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzoxazole is sourced from PubChem (CID 119091936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).