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

C19H18Cl2N2O2 — CID 71686249

IUPAC(3R,7aS)-2-(3-chloro-4-methoxyphenyl)-3-(4-chlorophenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
SMILESCOc1ccc(N2C(=O)[C@@H]3CCCN3[C@H]2c2ccc(Cl)cc2)cc1Cl
InChIInChI=1S/C19H18Cl2N2O2/c1-25-17-9-8-14(11-15(17)21)23-18(12-4-6-13(20)7-5-12)22-10-2-3-16(22)19(23)24/h4-9,11,16,18H,2-3,10H2,1H3/t16-,18+/m0/s1
InChIKeyFZOCEQZXLARIII-FUHWJXTLSA-N
MW377.27 g/mol
LogP4.51
Rot. Bonds3

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

(3R,7aS)-2-(3-chloro-4-methoxyphenyl)-3-(4-chlorophenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one (PubChem CID 71686249) has the molecular formula C19H18Cl2N2O2 and a molecular weight of 377.27 g/mol. Its IUPAC name is (3R,7aS)-2-(3-chloro-4-methoxyphenyl)-3-(4-chlorophenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one.

Molecular Properties

Compound Name(3R,7aS)-2-(3-chloro-4-methoxyphenyl)-3-(4-chlorophenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
PubChem CID71686249
Molecular FormulaC19H18Cl2N2O2
Molecular Weight377.27 g/mol
Exact Mass376.07
IUPAC Name(3R,7aS)-2-(3-chloro-4-methoxyphenyl)-3-(4-chlorophenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
SMILESCOc1ccc(N2C(=O)[C@@H]3CCCN3[C@H]2c2ccc(Cl)cc2)cc1Cl
InChIInChI=1S/C19H18Cl2N2O2/c1-25-17-9-8-14(11-15(17)21)23-18(12-4-6-13(20)7-5-12)22-10-2-3-16(22)19(23)24/h4-9,11,16,18H,2-3,10H2,1H3/t16-,18+/m0/s1
InChIKeyFZOCEQZXLARIII-FUHWJXTLSA-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

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

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Related Compounds

(3R,7aS)-3-(3-bromophenyl)-2-(3-chloro-4-methoxyphenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
CID 71686253
2-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
CID 20856705
(3S,7aS)-2-(3,4-dichlorophenyl)-3-(4-methylphenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
CID 124760539
(3R,7aS)-2-(5-chloro-2-methoxyphenyl)-3-(4-methylphenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
CID 71686216
(3R,7aS)-2-(4-chlorophenyl)-3-(4-methylsulfanylphenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
CID 71686353
2-(4-chlorophenyl)-3-(4-propan-2-ylphenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
CID 20856766
2-(5-chloro-2-methoxyphenyl)-3-phenyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
CID 20856702
(3R,7aS)-3-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
CID 71686322
2-(4-chlorophenyl)-3-(2-methoxynaphthalen-1-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
CID 20856772
(3S,7aS)-2-(4-chlorophenyl)-3-(4-nitrophenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
CID 7105499
(3S,7aR)-2-(3-chlorophenyl)-3-pyridin-4-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
CID 11875197
2-(3-chlorophenyl)-3-pyridin-4-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
CID 18553463

Frequently Asked Questions

What is the IUPAC name of (3R,7aS)-2-(3-chloro-4-methoxyphenyl)-3-(4-chlorophenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
The IUPAC name of (3R,7aS)-2-(3-chloro-4-methoxyphenyl)-3-(4-chlorophenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one (CID 71686249) is (3R,7aS)-2-(3-chloro-4-methoxyphenyl)-3-(4-chlorophenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one.
What is the SMILES notation for (3R,7aS)-2-(3-chloro-4-methoxyphenyl)-3-(4-chlorophenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
The canonical SMILES for (3R,7aS)-2-(3-chloro-4-methoxyphenyl)-3-(4-chlorophenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one is COc1ccc(N2C(=O)[C@@H]3CCCN3[C@H]2c2ccc(Cl)cc2)cc1Cl.
What is the InChIKey of (3R,7aS)-2-(3-chloro-4-methoxyphenyl)-3-(4-chlorophenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
The InChIKey is FZOCEQZXLARIII-FUHWJXTLSA-N. The full InChI is InChI=1S/C19H18Cl2N2O2/c1-25-17-9-8-14(11-15(17)21)23-18(12-4-6-13(20)7-5-12)22-10-2-3-16(22)19(23)24/h4-9,11,16,18H,2-3,10H2,1H3/t16-,18+/m0/s1.
What are the key properties of (3R,7aS)-2-(3-chloro-4-methoxyphenyl)-3-(4-chlorophenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
(3R,7aS)-2-(3-chloro-4-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 (3R,7aS)-2-(3-chloro-4-methoxyphenyl)-3-(4-chlorophenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one is sourced from PubChem (CID 71686249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).