4-(4-chlorophenyl)-7-methyl-1-(4-methylphenyl)-5H-[1]benzofuro[2,3-d]diazepine

C25H19ClN2O — CID 134691568

IUPAC4-(4-chlorophenyl)-7-methyl-1-(4-methylphenyl)-5H-[1]benzofuro[2,3-d]diazepine
SMILESCc1ccc(C2=NN=C(c3ccc(Cl)cc3)Cc3c2oc2ccc(C)cc32)cc1
InChIInChI=1S/C25H19ClN2O/c1-15-3-6-18(7-4-15)24-25-21(20-13-16(2)5-12-23(20)29-25)14-22(27-28-24)17-8-10-19(26)11-9-17/h3-13H,14H2,1-2H3
InChIKeyVGVVDVOFAKJNFS-UHFFFAOYSA-N
MW398.89 g/mol
LogP6.50
Rot. Bonds2

About 4-(4-chlorophenyl)-7-methyl-1-(4-methylphenyl)-5H-[1]benzofuro[2,3-d]diazepine

4-(4-chlorophenyl)-7-methyl-1-(4-methylphenyl)-5H-[1]benzofuro[2,3-d]diazepine (PubChem CID 134691568) has the molecular formula C25H19ClN2O and a molecular weight of 398.89 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-7-methyl-1-(4-methylphenyl)-5H-[1]benzofuro[2,3-d]diazepine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-7-methyl-1-(4-methylphenyl)-5H-[1]benzofuro[2,3-d]diazepine
PubChem CID134691568
Molecular FormulaC25H19ClN2O
Molecular Weight398.89 g/mol
Exact Mass398.12
IUPAC Name4-(4-chlorophenyl)-7-methyl-1-(4-methylphenyl)-5H-[1]benzofuro[2,3-d]diazepine
SMILESCc1ccc(C2=NN=C(c3ccc(Cl)cc3)Cc3c2oc2ccc(C)cc32)cc1
InChIInChI=1S/C25H19ClN2O/c1-15-3-6-18(7-4-15)24-25-21(20-13-16(2)5-12-23(20)29-25)14-22(27-28-24)17-8-10-19(26)11-9-17/h3-13H,14H2,1-2H3
InChIKeyVGVVDVOFAKJNFS-UHFFFAOYSA-N
XLogP6.50
TPSA37.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.89
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(4-chlorophenyl)-5-methyl-1-benzofuran-2-yl]methyl]but-2-en-1-amine
CID 67850128
3-chloro-2,5-dimethyl-1-benzofuran
CID 90163019
2-amino-3-(4-chlorophenyl)-7-methylchromeno[2,3-b]pyridin-5-one
CID 725098
5-methyl-2-phenyl-1-benzofuran-3-ol
CID 71372497
2-(4-chlorophenyl)-N-(2,3-dimethylphenyl)-6-methylchromen-4-imine
CID 2239413
5,14-dimethyl-18-oxatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2(7),3,5,12(17),13,15-heptaene
CID 90227674
2-(4-chlorophenyl)-6-methyl-1,3-benzoxazole
CID 4154393
9-chloro-2-methylbenzo[c]chromen-6-one
CID 10490538
2-(2,4-dichlorophenyl)-3-hydroxy-6-methylchromen-4-one
CID 7729084
6-chloro-3-[(4-chlorophenyl)methoxy]-2-(4-methylphenyl)chromen-4-one
CID 7746678
2-methyl-8-(7-methyldibenzofuran-2-yl)dibenzofuran
CID 59359477
6-chloro-3-ethoxy-2-(4-methylphenyl)chromen-4-one
CID 7746663

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-7-methyl-1-(4-methylphenyl)-5H-[1]benzofuro[2,3-d]diazepine?
The IUPAC name of 4-(4-chlorophenyl)-7-methyl-1-(4-methylphenyl)-5H-[1]benzofuro[2,3-d]diazepine (CID 134691568) is 4-(4-chlorophenyl)-7-methyl-1-(4-methylphenyl)-5H-[1]benzofuro[2,3-d]diazepine.
What is the SMILES notation for 4-(4-chlorophenyl)-7-methyl-1-(4-methylphenyl)-5H-[1]benzofuro[2,3-d]diazepine?
The canonical SMILES for 4-(4-chlorophenyl)-7-methyl-1-(4-methylphenyl)-5H-[1]benzofuro[2,3-d]diazepine is Cc1ccc(C2=NN=C(c3ccc(Cl)cc3)Cc3c2oc2ccc(C)cc32)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-7-methyl-1-(4-methylphenyl)-5H-[1]benzofuro[2,3-d]diazepine?
The InChIKey is VGVVDVOFAKJNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClN2O/c1-15-3-6-18(7-4-15)24-25-21(20-13-16(2)5-12-23(20)29-25)14-22(27-28-24)17-8-10-19(26)11-9-17/h3-13H,14H2,1-2H3.
What are the key properties of 4-(4-chlorophenyl)-7-methyl-1-(4-methylphenyl)-5H-[1]benzofuro[2,3-d]diazepine?
4-(4-chlorophenyl)-7-methyl-1-(4-methylphenyl)-5H-[1]benzofuro[2,3-d]diazepine has a molecular weight of 398.89 g/mol, XLogP of 6.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-7-methyl-1-(4-methylphenyl)-5H-[1]benzofuro[2,3-d]diazepine is sourced from PubChem (CID 134691568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).