(Z)-2-[[1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene]amino]-1-phenylethenol

C29H31N3O — CID 102498583

IUPAC(Z)-2-[[1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene]amino]-1-phenylethenol
SMILESCc1cc(C)c(-n2ccn(-c3c(C)cc(C)cc3C)c2=N/C=C(\O)c2ccccc2)c(C)c1
InChIInChI=1S/C29H31N3O/c1-19-14-21(3)27(22(4)15-19)31-12-13-32(28-23(5)16-20(2)17-24(28)6)29(31)30-18-26(33)25-10-8-7-9-11-25/h7-18,33H,1-6H3/b26-18-
InChIKeyREDGTBAECRNBPC-ITYLOYPMSA-N
MW437.59 g/mol
LogP6.58
Rot. Bonds4

About (Z)-2-[[1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene]amino]-1-phenylethenol

(Z)-2-[[1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene]amino]-1-phenylethenol (PubChem CID 102498583) has the molecular formula C29H31N3O and a molecular weight of 437.59 g/mol. Its IUPAC name is (Z)-2-[[1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene]amino]-1-phenylethenol.

Molecular Properties

Compound Name(Z)-2-[[1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene]amino]-1-phenylethenol
PubChem CID102498583
Molecular FormulaC29H31N3O
Molecular Weight437.59 g/mol
Exact Mass437.25
IUPAC Name(Z)-2-[[1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene]amino]-1-phenylethenol
SMILESCc1cc(C)c(-n2ccn(-c3c(C)cc(C)cc3C)c2=N/C=C(\O)c2ccccc2)c(C)c1
InChIInChI=1S/C29H31N3O/c1-19-14-21(3)27(22(4)15-19)31-12-13-32(28-23(5)16-20(2)17-24(28)6)29(31)30-18-26(33)25-10-8-7-9-11-25/h7-18,33H,1-6H3/b26-18-
InChIKeyREDGTBAECRNBPC-ITYLOYPMSA-N
XLogP6.58
TPSA42.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.59
LogP ≤ 56.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze (Z)-2-[[1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene]amino]-1-phenylethenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[[1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene]amino]-1-phenylethenol?
The IUPAC name of (Z)-2-[[1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene]amino]-1-phenylethenol (CID 102498583) is (Z)-2-[[1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene]amino]-1-phenylethenol.
What is the SMILES notation for (Z)-2-[[1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene]amino]-1-phenylethenol?
The canonical SMILES for (Z)-2-[[1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene]amino]-1-phenylethenol is Cc1cc(C)c(-n2ccn(-c3c(C)cc(C)cc3C)c2=N/C=C(\O)c2ccccc2)c(C)c1.
What is the InChIKey of (Z)-2-[[1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene]amino]-1-phenylethenol?
The InChIKey is REDGTBAECRNBPC-ITYLOYPMSA-N. The full InChI is InChI=1S/C29H31N3O/c1-19-14-21(3)27(22(4)15-19)31-12-13-32(28-23(5)16-20(2)17-24(28)6)29(31)30-18-26(33)25-10-8-7-9-11-25/h7-18,33H,1-6H3/b26-18-.
What are the key properties of (Z)-2-[[1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene]amino]-1-phenylethenol?
(Z)-2-[[1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene]amino]-1-phenylethenol has a molecular weight of 437.59 g/mol, XLogP of 6.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[[1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene]amino]-1-phenylethenol is sourced from PubChem (CID 102498583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).