1,3-bis[(4-chlorophenyl)methyl]-2-phenylimidazolidine

C23H22Cl2N2 — CID 12062835

IUPAC1,3-bis[(4-chlorophenyl)methyl]-2-phenylimidazolidine
SMILESClc1ccc(CN2CCN(Cc3ccc(Cl)cc3)C2c2ccccc2)cc1
InChIInChI=1S/C23H22Cl2N2/c24-21-10-6-18(7-11-21)16-26-14-15-27(17-19-8-12-22(25)13-9-19)23(26)20-4-2-1-3-5-20/h1-13,23H,14-17H2
InChIKeyNDIVDIXLZMTASC-UHFFFAOYSA-N
MW397.35 g/mol
LogP6.01
Rot. Bonds5

About 1,3-bis[(4-chlorophenyl)methyl]-2-phenylimidazolidine

1,3-bis[(4-chlorophenyl)methyl]-2-phenylimidazolidine (PubChem CID 12062835) has the molecular formula C23H22Cl2N2 and a molecular weight of 397.35 g/mol. Its IUPAC name is 1,3-bis[(4-chlorophenyl)methyl]-2-phenylimidazolidine.

Molecular Properties

Compound Name1,3-bis[(4-chlorophenyl)methyl]-2-phenylimidazolidine
PubChem CID12062835
Molecular FormulaC23H22Cl2N2
Molecular Weight397.35 g/mol
Exact Mass396.12
IUPAC Name1,3-bis[(4-chlorophenyl)methyl]-2-phenylimidazolidine
SMILESClc1ccc(CN2CCN(Cc3ccc(Cl)cc3)C2c2ccccc2)cc1
InChIInChI=1S/C23H22Cl2N2/c24-21-10-6-18(7-11-21)16-26-14-15-27(17-19-8-12-22(25)13-9-19)23(26)20-4-2-1-3-5-20/h1-13,23H,14-17H2
InChIKeyNDIVDIXLZMTASC-UHFFFAOYSA-N
XLogP6.01
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.35
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis[(4-chlorophenyl)methyl]-2-phenylimidazolidine?
The IUPAC name of 1,3-bis[(4-chlorophenyl)methyl]-2-phenylimidazolidine (CID 12062835) is 1,3-bis[(4-chlorophenyl)methyl]-2-phenylimidazolidine.
What is the SMILES notation for 1,3-bis[(4-chlorophenyl)methyl]-2-phenylimidazolidine?
The canonical SMILES for 1,3-bis[(4-chlorophenyl)methyl]-2-phenylimidazolidine is Clc1ccc(CN2CCN(Cc3ccc(Cl)cc3)C2c2ccccc2)cc1.
What is the InChIKey of 1,3-bis[(4-chlorophenyl)methyl]-2-phenylimidazolidine?
The InChIKey is NDIVDIXLZMTASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2N2/c24-21-10-6-18(7-11-21)16-26-14-15-27(17-19-8-12-22(25)13-9-19)23(26)20-4-2-1-3-5-20/h1-13,23H,14-17H2.
What are the key properties of 1,3-bis[(4-chlorophenyl)methyl]-2-phenylimidazolidine?
1,3-bis[(4-chlorophenyl)methyl]-2-phenylimidazolidine has a molecular weight of 397.35 g/mol, XLogP of 6.01, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[(4-chlorophenyl)methyl]-2-phenylimidazolidine is sourced from PubChem (CID 12062835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).