(4R,5R)-1,3-bis(4-chlorophenyl)-4,5-diethoxyimidazolidine

C19H22Cl2N2O2 — CID 139075515

IUPAC(4R,5R)-1,3-bis(4-chlorophenyl)-4,5-diethoxyimidazolidine
SMILESCCO[C@@H]1[C@@H](OCC)N(c2ccc(Cl)cc2)CN1c1ccc(Cl)cc1
InChIInChI=1S/C19H22Cl2N2O2/c1-3-24-18-19(25-4-2)23(17-11-7-15(21)8-12-17)13-22(18)16-9-5-14(20)6-10-16/h5-12,18-19H,3-4,13H2,1-2H3/t18-,19-/m1/s1
InChIKeyMSWJRYPPDATHDX-RTBURBONSA-N
MW381.30 g/mol
LogP5.00
Rot. Bonds6

About (4R,5R)-1,3-bis(4-chlorophenyl)-4,5-diethoxyimidazolidine

(4R,5R)-1,3-bis(4-chlorophenyl)-4,5-diethoxyimidazolidine (PubChem CID 139075515) has the molecular formula C19H22Cl2N2O2 and a molecular weight of 381.30 g/mol. Its IUPAC name is (4R,5R)-1,3-bis(4-chlorophenyl)-4,5-diethoxyimidazolidine.

Molecular Properties

Compound Name(4R,5R)-1,3-bis(4-chlorophenyl)-4,5-diethoxyimidazolidine
PubChem CID139075515
Molecular FormulaC19H22Cl2N2O2
Molecular Weight381.30 g/mol
Exact Mass380.11
IUPAC Name(4R,5R)-1,3-bis(4-chlorophenyl)-4,5-diethoxyimidazolidine
SMILESCCO[C@@H]1[C@@H](OCC)N(c2ccc(Cl)cc2)CN1c1ccc(Cl)cc1
InChIInChI=1S/C19H22Cl2N2O2/c1-3-24-18-19(25-4-2)23(17-11-7-15(21)8-12-17)13-22(18)16-9-5-14(20)6-10-16/h5-12,18-19H,3-4,13H2,1-2H3/t18-,19-/m1/s1
InChIKeyMSWJRYPPDATHDX-RTBURBONSA-N
XLogP5.00
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.30
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-1,3-bis(4-chlorophenyl)-4,5-diethoxyimidazolidine?
The IUPAC name of (4R,5R)-1,3-bis(4-chlorophenyl)-4,5-diethoxyimidazolidine (CID 139075515) is (4R,5R)-1,3-bis(4-chlorophenyl)-4,5-diethoxyimidazolidine.
What is the SMILES notation for (4R,5R)-1,3-bis(4-chlorophenyl)-4,5-diethoxyimidazolidine?
The canonical SMILES for (4R,5R)-1,3-bis(4-chlorophenyl)-4,5-diethoxyimidazolidine is CCO[C@@H]1[C@@H](OCC)N(c2ccc(Cl)cc2)CN1c1ccc(Cl)cc1.
What is the InChIKey of (4R,5R)-1,3-bis(4-chlorophenyl)-4,5-diethoxyimidazolidine?
The InChIKey is MSWJRYPPDATHDX-RTBURBONSA-N. The full InChI is InChI=1S/C19H22Cl2N2O2/c1-3-24-18-19(25-4-2)23(17-11-7-15(21)8-12-17)13-22(18)16-9-5-14(20)6-10-16/h5-12,18-19H,3-4,13H2,1-2H3/t18-,19-/m1/s1.
What are the key properties of (4R,5R)-1,3-bis(4-chlorophenyl)-4,5-diethoxyimidazolidine?
(4R,5R)-1,3-bis(4-chlorophenyl)-4,5-diethoxyimidazolidine has a molecular weight of 381.30 g/mol, XLogP of 5.00, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-1,3-bis(4-chlorophenyl)-4,5-diethoxyimidazolidine is sourced from PubChem (CID 139075515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).