2-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one

C19H18Cl2N2O2 — CID 20856705

IUPAC2-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
SMILESCOc1ccc(Cl)cc1N1C(=O)C2CCCN2C1c1ccc(Cl)cc1
InChIInChI=1S/C19H18Cl2N2O2/c1-25-17-9-8-14(21)11-16(17)23-18(12-4-6-13(20)7-5-12)22-10-2-3-15(22)19(23)24/h4-9,11,15,18H,2-3,10H2,1H3
InChIKeyIPXNMGLASJBVGU-UHFFFAOYSA-N
MW377.27 g/mol
LogP4.51
Rot. Bonds3

About 2-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one

2-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one (PubChem CID 20856705) has the molecular formula C19H18Cl2N2O2 and a molecular weight of 377.27 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
PubChem CID20856705
Molecular FormulaC19H18Cl2N2O2
Molecular Weight377.27 g/mol
Exact Mass376.07
IUPAC Name2-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
SMILESCOc1ccc(Cl)cc1N1C(=O)C2CCCN2C1c1ccc(Cl)cc1
InChIInChI=1S/C19H18Cl2N2O2/c1-25-17-9-8-14(21)11-16(17)23-18(12-4-6-13(20)7-5-12)22-10-2-3-15(22)19(23)24/h4-9,11,15,18H,2-3,10H2,1H3
InChIKeyIPXNMGLASJBVGU-UHFFFAOYSA-N
XLogP4.51
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.27
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
The IUPAC name of 2-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one (CID 20856705) is 2-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one.
What is the SMILES notation for 2-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
The canonical SMILES for 2-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one is COc1ccc(Cl)cc1N1C(=O)C2CCCN2C1c1ccc(Cl)cc1.
What is the InChIKey of 2-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
The InChIKey is IPXNMGLASJBVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2O2/c1-25-17-9-8-14(21)11-16(17)23-18(12-4-6-13(20)7-5-12)22-10-2-3-15(22)19(23)24/h4-9,11,15,18H,2-3,10H2,1H3.
What are the key properties of 2-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
2-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one has a molecular weight of 377.27 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one is sourced from PubChem (CID 20856705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).