4-iodo-2-[3-[4-(2-methyl-4-phenyl-1H-imidazol-5-yl)phenyl]phenyl]quinazoline

C30H21IN4 — CID 170025602

IUPAC4-iodo-2-[3-[4-(2-methyl-4-phenyl-1H-imidazol-5-yl)phenyl]phenyl]quinazoline
SMILESCc1nc(-c2ccccc2)c(-c2ccc(-c3cccc(-c4nc(I)c5ccccc5n4)c3)cc2)[nH]1
InChIInChI=1S/C30H21IN4/c1-19-32-27(21-8-3-2-4-9-21)28(33-19)22-16-14-20(15-17-22)23-10-7-11-24(18-23)30-34-26-13-6-5-12-25(26)29(31)35-30/h2-18H,1H3,(H,32,33)
InChIKeySEBCFDFDQBKVPP-UHFFFAOYSA-N
MW564.43 g/mol
LogP7.93
Rot. Bonds4

About 4-iodo-2-[3-[4-(2-methyl-4-phenyl-1H-imidazol-5-yl)phenyl]phenyl]quinazoline

4-iodo-2-[3-[4-(2-methyl-4-phenyl-1H-imidazol-5-yl)phenyl]phenyl]quinazoline (PubChem CID 170025602) has the molecular formula C30H21IN4 and a molecular weight of 564.43 g/mol. Its IUPAC name is 4-iodo-2-[3-[4-(2-methyl-4-phenyl-1H-imidazol-5-yl)phenyl]phenyl]quinazoline.

Molecular Properties

Compound Name4-iodo-2-[3-[4-(2-methyl-4-phenyl-1H-imidazol-5-yl)phenyl]phenyl]quinazoline
PubChem CID170025602
Molecular FormulaC30H21IN4
Molecular Weight564.43 g/mol
Exact Mass564.08
IUPAC Name4-iodo-2-[3-[4-(2-methyl-4-phenyl-1H-imidazol-5-yl)phenyl]phenyl]quinazoline
SMILESCc1nc(-c2ccccc2)c(-c2ccc(-c3cccc(-c4nc(I)c5ccccc5n4)c3)cc2)[nH]1
InChIInChI=1S/C30H21IN4/c1-19-32-27(21-8-3-2-4-9-21)28(33-19)22-16-14-20(15-17-22)23-10-7-11-24(18-23)30-34-26-13-6-5-12-25(26)29(31)35-30/h2-18H,1H3,(H,32,33)
InChIKeySEBCFDFDQBKVPP-UHFFFAOYSA-N
XLogP7.93
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.43
LogP ≤ 57.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 4-iodo-2-[3-[4-(2-methyl-4-phenyl-1H-imidazol-5-yl)phenyl]phenyl]quinazoline 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 4-iodo-2-[3-[4-(2-methyl-4-phenyl-1H-imidazol-5-yl)phenyl]phenyl]quinazoline?
The IUPAC name of 4-iodo-2-[3-[4-(2-methyl-4-phenyl-1H-imidazol-5-yl)phenyl]phenyl]quinazoline (CID 170025602) is 4-iodo-2-[3-[4-(2-methyl-4-phenyl-1H-imidazol-5-yl)phenyl]phenyl]quinazoline.
What is the SMILES notation for 4-iodo-2-[3-[4-(2-methyl-4-phenyl-1H-imidazol-5-yl)phenyl]phenyl]quinazoline?
The canonical SMILES for 4-iodo-2-[3-[4-(2-methyl-4-phenyl-1H-imidazol-5-yl)phenyl]phenyl]quinazoline is Cc1nc(-c2ccccc2)c(-c2ccc(-c3cccc(-c4nc(I)c5ccccc5n4)c3)cc2)[nH]1.
What is the InChIKey of 4-iodo-2-[3-[4-(2-methyl-4-phenyl-1H-imidazol-5-yl)phenyl]phenyl]quinazoline?
The InChIKey is SEBCFDFDQBKVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21IN4/c1-19-32-27(21-8-3-2-4-9-21)28(33-19)22-16-14-20(15-17-22)23-10-7-11-24(18-23)30-34-26-13-6-5-12-25(26)29(31)35-30/h2-18H,1H3,(H,32,33).
What are the key properties of 4-iodo-2-[3-[4-(2-methyl-4-phenyl-1H-imidazol-5-yl)phenyl]phenyl]quinazoline?
4-iodo-2-[3-[4-(2-methyl-4-phenyl-1H-imidazol-5-yl)phenyl]phenyl]quinazoline has a molecular weight of 564.43 g/mol, XLogP of 7.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-2-[3-[4-(2-methyl-4-phenyl-1H-imidazol-5-yl)phenyl]phenyl]quinazoline is sourced from PubChem (CID 170025602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).