(2R)-2,4-bis(4-iodophenyl)-2-methyl-1,3-dihydro-1,5-benzodiazepine

C22H18I2N2 — CID 95241454

IUPAC(2R)-2,4-bis(4-iodophenyl)-2-methyl-1,3-dihydro-1,5-benzodiazepine
SMILESC[C@]1(c2ccc(I)cc2)CC(c2ccc(I)cc2)=Nc2ccccc2N1
InChIInChI=1S/C22H18I2N2/c1-22(16-8-12-18(24)13-9-16)14-21(15-6-10-17(23)11-7-15)25-19-4-2-3-5-20(19)26-22/h2-13,26H,14H2,1H3/t22-/m1/s1
InChIKeyHWDDNDDCQSPPDR-JOCHJYFZSA-N
MW564.21 g/mol
LogP6.75
Rot. Bonds2

About (2R)-2,4-bis(4-iodophenyl)-2-methyl-1,3-dihydro-1,5-benzodiazepine

(2R)-2,4-bis(4-iodophenyl)-2-methyl-1,3-dihydro-1,5-benzodiazepine (PubChem CID 95241454) has the molecular formula C22H18I2N2 and a molecular weight of 564.21 g/mol. Its IUPAC name is (2R)-2,4-bis(4-iodophenyl)-2-methyl-1,3-dihydro-1,5-benzodiazepine.

Molecular Properties

Compound Name(2R)-2,4-bis(4-iodophenyl)-2-methyl-1,3-dihydro-1,5-benzodiazepine
PubChem CID95241454
Molecular FormulaC22H18I2N2
Molecular Weight564.21 g/mol
Exact Mass563.96
IUPAC Name(2R)-2,4-bis(4-iodophenyl)-2-methyl-1,3-dihydro-1,5-benzodiazepine
SMILESC[C@]1(c2ccc(I)cc2)CC(c2ccc(I)cc2)=Nc2ccccc2N1
InChIInChI=1S/C22H18I2N2/c1-22(16-8-12-18(24)13-9-16)14-21(15-6-10-17(23)11-7-15)25-19-4-2-3-5-20(19)26-22/h2-13,26H,14H2,1H3/t22-/m1/s1
InChIKeyHWDDNDDCQSPPDR-JOCHJYFZSA-N
XLogP6.75
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.21
LogP ≤ 56.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-bis(4-chlorophenyl)-2-methyl-1,3-dihydro-1,5-benzodiazepine
CID 11291964
2-methyl-2,4-dipyridin-2-yl-1,3-dihydro-1,5-benzodiazepine
CID 86022049
2,4-bis(furan-2-yl)-2-methyl-1,3-dihydro-1,5-benzodiazepine
CID 13223241
6-[2-(6-amino-2-pyridinyl)-2-methyl-1,3-dihydro-1,5-benzodiazepin-4-yl]pyridin-2-amine
CID 154700828
2-(4-iodophenyl)-4-phenyl-2,3-dihydro-1H-1,5-benzodiazepine
CID 71428341
7-chloro-2-methyl-2,4-di(thiophen-3-yl)-1,3-dihydro-1,5-benzodiazepine
CID 44542028
3,6-bis[4-(4-iodophenyl)phenyl]-3,6-dimethylcyclohexa-1,4-diene
CID 160620246
2,4-diethyl-2-methyl-1,3-dihydro-1,5-benzodiazepine
CID 11458601
ethane;2-[4-(3H-indol-2-yl)phenyl]-3H-indole
CID 91030329
2-methyl-2-phenyl-1,3-dihydropyrrolo[2,3-c]pyridine
CID 135041202
1,3,7-trimethyl-6-[2-methyl-2-(1,3,7-trimethyl-2,4-dioxopteridin-6-yl)-1,3-dihydro-1,5-benzodiazepin-4-yl]pteridine-2,4-dione
CID 132532820
2,2,4-triethyl-1,3-dihydro-1,5-benzodiazepine
CID 102146713

Frequently Asked Questions

What is the IUPAC name of (2R)-2,4-bis(4-iodophenyl)-2-methyl-1,3-dihydro-1,5-benzodiazepine?
The IUPAC name of (2R)-2,4-bis(4-iodophenyl)-2-methyl-1,3-dihydro-1,5-benzodiazepine (CID 95241454) is (2R)-2,4-bis(4-iodophenyl)-2-methyl-1,3-dihydro-1,5-benzodiazepine.
What is the SMILES notation for (2R)-2,4-bis(4-iodophenyl)-2-methyl-1,3-dihydro-1,5-benzodiazepine?
The canonical SMILES for (2R)-2,4-bis(4-iodophenyl)-2-methyl-1,3-dihydro-1,5-benzodiazepine is C[C@]1(c2ccc(I)cc2)CC(c2ccc(I)cc2)=Nc2ccccc2N1.
What is the InChIKey of (2R)-2,4-bis(4-iodophenyl)-2-methyl-1,3-dihydro-1,5-benzodiazepine?
The InChIKey is HWDDNDDCQSPPDR-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H18I2N2/c1-22(16-8-12-18(24)13-9-16)14-21(15-6-10-17(23)11-7-15)25-19-4-2-3-5-20(19)26-22/h2-13,26H,14H2,1H3/t22-/m1/s1.
What are the key properties of (2R)-2,4-bis(4-iodophenyl)-2-methyl-1,3-dihydro-1,5-benzodiazepine?
(2R)-2,4-bis(4-iodophenyl)-2-methyl-1,3-dihydro-1,5-benzodiazepine has a molecular weight of 564.21 g/mol, XLogP of 6.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,4-bis(4-iodophenyl)-2-methyl-1,3-dihydro-1,5-benzodiazepine is sourced from PubChem (CID 95241454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).