2-[4-[1,3-bis(4-methylphenyl)imidazolidin-2-yl]phenyl]-1,3-bis(4-methylphenyl)imidazolidine

C40H42N4 — CID 21231913

IUPAC2-[4-[1,3-bis(4-methylphenyl)imidazolidin-2-yl]phenyl]-1,3-bis(4-methylphenyl)imidazolidine
SMILESCc1ccc(N2CCN(c3ccc(C)cc3)C2c2ccc(C3N(c4ccc(C)cc4)CCN3c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C40H42N4/c1-29-5-17-35(18-6-29)41-25-26-42(36-19-7-30(2)8-20-36)39(41)33-13-15-34(16-14-33)40-43(37-21-9-31(3)10-22-37)27-28-44(40)38-23-11-32(4)12-24-38/h5-24,39-40H,25-28H2,1-4H3
InChIKeyCJMWBIKXMOFZSF-UHFFFAOYSA-N
MW578.80 g/mol
LogP8.97
Rot. Bonds6

About 2-[4-[1,3-bis(4-methylphenyl)imidazolidin-2-yl]phenyl]-1,3-bis(4-methylphenyl)imidazolidine

2-[4-[1,3-bis(4-methylphenyl)imidazolidin-2-yl]phenyl]-1,3-bis(4-methylphenyl)imidazolidine (PubChem CID 21231913) has the molecular formula C40H42N4 and a molecular weight of 578.80 g/mol. Its IUPAC name is 2-[4-[1,3-bis(4-methylphenyl)imidazolidin-2-yl]phenyl]-1,3-bis(4-methylphenyl)imidazolidine.

Molecular Properties

Compound Name2-[4-[1,3-bis(4-methylphenyl)imidazolidin-2-yl]phenyl]-1,3-bis(4-methylphenyl)imidazolidine
PubChem CID21231913
Molecular FormulaC40H42N4
Molecular Weight578.80 g/mol
Exact Mass578.34
IUPAC Name2-[4-[1,3-bis(4-methylphenyl)imidazolidin-2-yl]phenyl]-1,3-bis(4-methylphenyl)imidazolidine
SMILESCc1ccc(N2CCN(c3ccc(C)cc3)C2c2ccc(C3N(c4ccc(C)cc4)CCN3c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C40H42N4/c1-29-5-17-35(18-6-29)41-25-26-42(36-19-7-30(2)8-20-36)39(41)33-13-15-34(16-14-33)40-43(37-21-9-31(3)10-22-37)27-28-44(40)38-23-11-32(4)12-24-38/h5-24,39-40H,25-28H2,1-4H3
InChIKeyCJMWBIKXMOFZSF-UHFFFAOYSA-N
XLogP8.97
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.80
LogP ≤ 58.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[1,3-bis(4-methylphenyl)imidazolidin-2-yl]phenyl]-1,3-bis(4-methylphenyl)imidazolidine?
The IUPAC name of 2-[4-[1,3-bis(4-methylphenyl)imidazolidin-2-yl]phenyl]-1,3-bis(4-methylphenyl)imidazolidine (CID 21231913) is 2-[4-[1,3-bis(4-methylphenyl)imidazolidin-2-yl]phenyl]-1,3-bis(4-methylphenyl)imidazolidine.
What is the SMILES notation for 2-[4-[1,3-bis(4-methylphenyl)imidazolidin-2-yl]phenyl]-1,3-bis(4-methylphenyl)imidazolidine?
The canonical SMILES for 2-[4-[1,3-bis(4-methylphenyl)imidazolidin-2-yl]phenyl]-1,3-bis(4-methylphenyl)imidazolidine is Cc1ccc(N2CCN(c3ccc(C)cc3)C2c2ccc(C3N(c4ccc(C)cc4)CCN3c3ccc(C)cc3)cc2)cc1.
What is the InChIKey of 2-[4-[1,3-bis(4-methylphenyl)imidazolidin-2-yl]phenyl]-1,3-bis(4-methylphenyl)imidazolidine?
The InChIKey is CJMWBIKXMOFZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H42N4/c1-29-5-17-35(18-6-29)41-25-26-42(36-19-7-30(2)8-20-36)39(41)33-13-15-34(16-14-33)40-43(37-21-9-31(3)10-22-37)27-28-44(40)38-23-11-32(4)12-24-38/h5-24,39-40H,25-28H2,1-4H3.
What are the key properties of 2-[4-[1,3-bis(4-methylphenyl)imidazolidin-2-yl]phenyl]-1,3-bis(4-methylphenyl)imidazolidine?
2-[4-[1,3-bis(4-methylphenyl)imidazolidin-2-yl]phenyl]-1,3-bis(4-methylphenyl)imidazolidine has a molecular weight of 578.80 g/mol, XLogP of 8.97, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1,3-bis(4-methylphenyl)imidazolidin-2-yl]phenyl]-1,3-bis(4-methylphenyl)imidazolidine is sourced from PubChem (CID 21231913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).