5-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2-oxazole;dihydrochloride

C21H21Cl2N5O — CID 16659036

IUPAC5-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2-oxazole;dihydrochloride
SMILESCl.Cl.c1cc(C2=NCCN2)cc(-c2cc(-c3ccc(C4=NCCN4)cc3)no2)c1
InChIInChI=1S/C21H19N5O.2ClH/c1-2-16(12-17(3-1)21-24-10-11-25-21)19-13-18(26-27-19)14-4-6-15(7-5-14)20-22-8-9-23-20;;/h1-7,12-13H,8-11H2,(H,22,23)(H,24,25);2*1H
InChIKeyBWDAUEMGDBZWRY-UHFFFAOYSA-N
MW430.34 g/mol
LogP3.55
Rot. Bonds4

About 5-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2-oxazole;dihydrochloride

5-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2-oxazole;dihydrochloride (PubChem CID 16659036) has the molecular formula C21H21Cl2N5O and a molecular weight of 430.34 g/mol. Its IUPAC name is 5-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2-oxazole;dihydrochloride.

Molecular Properties

Compound Name5-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2-oxazole;dihydrochloride
PubChem CID16659036
Molecular FormulaC21H21Cl2N5O
Molecular Weight430.34 g/mol
Exact Mass429.11
IUPAC Name5-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2-oxazole;dihydrochloride
SMILESCl.Cl.c1cc(C2=NCCN2)cc(-c2cc(-c3ccc(C4=NCCN4)cc3)no2)c1
InChIInChI=1S/C21H19N5O.2ClH/c1-2-16(12-17(3-1)21-24-10-11-25-21)19-13-18(26-27-19)14-4-6-15(7-5-14)20-22-8-9-23-20;;/h1-7,12-13H,8-11H2,(H,22,23)(H,24,25);2*1H
InChIKeyBWDAUEMGDBZWRY-UHFFFAOYSA-N
XLogP3.55
TPSA74.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.34
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2-oxazole;dihydrochloride?
The IUPAC name of 5-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2-oxazole;dihydrochloride (CID 16659036) is 5-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2-oxazole;dihydrochloride.
What is the SMILES notation for 5-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2-oxazole;dihydrochloride?
The canonical SMILES for 5-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2-oxazole;dihydrochloride is Cl.Cl.c1cc(C2=NCCN2)cc(-c2cc(-c3ccc(C4=NCCN4)cc3)no2)c1.
What is the InChIKey of 5-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2-oxazole;dihydrochloride?
The InChIKey is BWDAUEMGDBZWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O.2ClH/c1-2-16(12-17(3-1)21-24-10-11-25-21)19-13-18(26-27-19)14-4-6-15(7-5-14)20-22-8-9-23-20;;/h1-7,12-13H,8-11H2,(H,22,23)(H,24,25);2*1H.
What are the key properties of 5-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2-oxazole;dihydrochloride?
5-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2-oxazole;dihydrochloride has a molecular weight of 430.34 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2-oxazole;dihydrochloride is sourced from PubChem (CID 16659036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).