2,4-bis(4-chlorophenyl)-1H-1,5-benzodiazepine

C21H14Cl2N2 — CID 100817143

IUPAC2,4-bis(4-chlorophenyl)-1H-1,5-benzodiazepine
SMILESClc1ccc(C2=CC(c3ccc(Cl)cc3)=Nc3ccccc3N2)cc1
InChIInChI=1S/C21H14Cl2N2/c22-16-9-5-14(6-10-16)20-13-21(15-7-11-17(23)12-8-15)25-19-4-2-1-3-18(19)24-20/h1-13,24H
InChIKeyHKNJIYANGLLMTO-UHFFFAOYSA-N
MW365.26 g/mol
LogP6.58
Rot. Bonds2

About 2,4-bis(4-chlorophenyl)-1H-1,5-benzodiazepine

2,4-bis(4-chlorophenyl)-1H-1,5-benzodiazepine (PubChem CID 100817143) has the molecular formula C21H14Cl2N2 and a molecular weight of 365.26 g/mol. Its IUPAC name is 2,4-bis(4-chlorophenyl)-1H-1,5-benzodiazepine.

Molecular Properties

Compound Name2,4-bis(4-chlorophenyl)-1H-1,5-benzodiazepine
PubChem CID100817143
Molecular FormulaC21H14Cl2N2
Molecular Weight365.26 g/mol
Exact Mass364.05
IUPAC Name2,4-bis(4-chlorophenyl)-1H-1,5-benzodiazepine
SMILESClc1ccc(C2=CC(c3ccc(Cl)cc3)=Nc3ccccc3N2)cc1
InChIInChI=1S/C21H14Cl2N2/c22-16-9-5-14(6-10-16)20-13-21(15-7-11-17(23)12-8-15)25-19-4-2-1-3-18(19)24-20/h1-13,24H
InChIKeyHKNJIYANGLLMTO-UHFFFAOYSA-N
XLogP6.58
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.26
LogP ≤ 56.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(dichloromethyl)-4-(4-methylphenyl)-1H-1,5-benzodiazepine
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2-[4-(4-nitrophenyl)-1H-1,5-benzodiazepin-2-yl]phenol
CID 135510753
2,3-diphenyl-10H-pyrido[3,4-b]quinoxaline
CID 67339660
2,4-bis(4-chlorophenyl)-2-methyl-1,3-dihydro-1,5-benzodiazepine
CID 11291964
(3Z)-5-(4-chlorophenyl)-1,6-benzoxazocin-2-one
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2-(4-chlorophenyl)-1H-perimidine
CID 3272767
2-phenyl-1H-1,5-benzodiazepine
CID 28688803
4-(4-chlorophenyl)-2-(trichloromethyl)-2,3-dihydro-1H-1,5-benzodiazepine
CID 2775717
3-(3-chlorophenyl)-2-methyl-1H-1,5-benzodiazepin-4-amine
CID 17198359
acetic acid;2,10-dihydrophenazine
CID 162312358
4-(3,4-dichlorophenyl)-1,3-dihydro-1,5-benzodiazepine-2-thione
CID 22762366
ethyl 4-(4-chlorophenyl)-1,5-benzothiazepine-2-carboxylate
CID 141176199

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(4-chlorophenyl)-1H-1,5-benzodiazepine?
The IUPAC name of 2,4-bis(4-chlorophenyl)-1H-1,5-benzodiazepine (CID 100817143) is 2,4-bis(4-chlorophenyl)-1H-1,5-benzodiazepine.
What is the SMILES notation for 2,4-bis(4-chlorophenyl)-1H-1,5-benzodiazepine?
The canonical SMILES for 2,4-bis(4-chlorophenyl)-1H-1,5-benzodiazepine is Clc1ccc(C2=CC(c3ccc(Cl)cc3)=Nc3ccccc3N2)cc1.
What is the InChIKey of 2,4-bis(4-chlorophenyl)-1H-1,5-benzodiazepine?
The InChIKey is HKNJIYANGLLMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl2N2/c22-16-9-5-14(6-10-16)20-13-21(15-7-11-17(23)12-8-15)25-19-4-2-1-3-18(19)24-20/h1-13,24H.
What are the key properties of 2,4-bis(4-chlorophenyl)-1H-1,5-benzodiazepine?
2,4-bis(4-chlorophenyl)-1H-1,5-benzodiazepine has a molecular weight of 365.26 g/mol, XLogP of 6.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(4-chlorophenyl)-1H-1,5-benzodiazepine is sourced from PubChem (CID 100817143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).