6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl 2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxylate

C20H13Cl2N3O3 — CID 167448270

IUPAC6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl 2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxylate
SMILESO=C(OC1Cc2nccn2C1)c1ccc2nc(-c3cc(Cl)cc(Cl)c3)oc2c1
InChIInChI=1S/C20H13Cl2N3O3/c21-13-5-12(6-14(22)8-13)19-24-16-2-1-11(7-17(16)28-19)20(26)27-15-9-18-23-3-4-25(18)10-15/h1-8,15H,9-10H2
InChIKeyFMYQNNCULKMOFC-UHFFFAOYSA-N
MW414.25 g/mol
LogP4.78
Rot. Bonds3

About 6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl 2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxylate

6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl 2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxylate (PubChem CID 167448270) has the molecular formula C20H13Cl2N3O3 and a molecular weight of 414.25 g/mol. Its IUPAC name is 6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl 2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxylate.

Molecular Properties

Compound Name6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl 2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxylate
PubChem CID167448270
Molecular FormulaC20H13Cl2N3O3
Molecular Weight414.25 g/mol
Exact Mass413.03
IUPAC Name6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl 2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxylate
SMILESO=C(OC1Cc2nccn2C1)c1ccc2nc(-c3cc(Cl)cc(Cl)c3)oc2c1
InChIInChI=1S/C20H13Cl2N3O3/c21-13-5-12(6-14(22)8-13)19-24-16-2-1-11(7-17(16)28-19)20(26)27-15-9-18-23-3-4-25(18)10-15/h1-8,15H,9-10H2
InChIKeyFMYQNNCULKMOFC-UHFFFAOYSA-N
XLogP4.78
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.25
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl 2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl 2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxylate?
The IUPAC name of 6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl 2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxylate (CID 167448270) is 6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl 2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxylate.
What is the SMILES notation for 6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl 2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxylate?
The canonical SMILES for 6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl 2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxylate is O=C(OC1Cc2nccn2C1)c1ccc2nc(-c3cc(Cl)cc(Cl)c3)oc2c1.
What is the InChIKey of 6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl 2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxylate?
The InChIKey is FMYQNNCULKMOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl2N3O3/c21-13-5-12(6-14(22)8-13)19-24-16-2-1-11(7-17(16)28-19)20(26)27-15-9-18-23-3-4-25(18)10-15/h1-8,15H,9-10H2.
What are the key properties of 6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl 2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxylate?
6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl 2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxylate has a molecular weight of 414.25 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl 2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxylate is sourced from PubChem (CID 167448270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).