5-chloro-2-(4-naphthalen-1-yl-3H-1,5-benzodiazepin-2-yl)phenol

C25H17ClN2O — CID 136827439

IUPAC5-chloro-2-(4-naphthalen-1-yl-3H-1,5-benzodiazepin-2-yl)phenol
SMILESOc1cc(Cl)ccc1C1=Nc2ccccc2N=C(c2cccc3ccccc23)C1
InChIInChI=1S/C25H17ClN2O/c26-17-12-13-20(25(29)14-17)24-15-23(27-21-10-3-4-11-22(21)28-24)19-9-5-7-16-6-1-2-8-18(16)19/h1-14,29H,15H2
InChIKeySMBBXVYUSYPKPW-UHFFFAOYSA-N
MW396.88 g/mol
LogP6.84
Rot. Bonds2

About 5-chloro-2-(4-naphthalen-1-yl-3H-1,5-benzodiazepin-2-yl)phenol

5-chloro-2-(4-naphthalen-1-yl-3H-1,5-benzodiazepin-2-yl)phenol (PubChem CID 136827439) has the molecular formula C25H17ClN2O and a molecular weight of 396.88 g/mol. Its IUPAC name is 5-chloro-2-(4-naphthalen-1-yl-3H-1,5-benzodiazepin-2-yl)phenol.

Molecular Properties

Compound Name5-chloro-2-(4-naphthalen-1-yl-3H-1,5-benzodiazepin-2-yl)phenol
PubChem CID136827439
Molecular FormulaC25H17ClN2O
Molecular Weight396.88 g/mol
Exact Mass396.10
IUPAC Name5-chloro-2-(4-naphthalen-1-yl-3H-1,5-benzodiazepin-2-yl)phenol
SMILESOc1cc(Cl)ccc1C1=Nc2ccccc2N=C(c2cccc3ccccc23)C1
InChIInChI=1S/C25H17ClN2O/c26-17-12-13-20(25(29)14-17)24-15-23(27-21-10-3-4-11-22(21)28-24)19-9-5-7-16-6-1-2-8-18(16)19/h1-14,29H,15H2
InChIKeySMBBXVYUSYPKPW-UHFFFAOYSA-N
XLogP6.84
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.88
LogP ≤ 56.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-(3H-indol-2-yl)phenol
CID 158565703
4-chloro-2-[2-(4-fluorophenyl)-3H-1,5-benzodiazepin-4-yl]phenol
CID 135420325
2-(2-naphthalen-1-ylphenyl)phenol
CID 122204114
1-(4-chloro-2-phenylphenyl)naphthalene
CID 163255490
3-(4-methylnaphthalen-1-yl)-5-naphthalen-1-yl-4H-pyrazole
CID 21044120
1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene
CID 59169251
2-[2-(4-chlorophenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]phenol
CID 2728675
2-(5-amino-3H-indol-2-yl)phenol
CID 159684413
1-(4-chloro-2-fluorophenyl)naphthalen-2-ol
CID 146212373
4-naphthalen-1-yl-6-(6-naphthalen-1-ylpyrimidin-4-yl)pyrimidine
CID 11618422
5-chloro-2-(2-fluorophenyl)phenol
CID 46314337
2-(4-chloro-2-phenylphenyl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 155450368

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(4-naphthalen-1-yl-3H-1,5-benzodiazepin-2-yl)phenol?
The IUPAC name of 5-chloro-2-(4-naphthalen-1-yl-3H-1,5-benzodiazepin-2-yl)phenol (CID 136827439) is 5-chloro-2-(4-naphthalen-1-yl-3H-1,5-benzodiazepin-2-yl)phenol.
What is the SMILES notation for 5-chloro-2-(4-naphthalen-1-yl-3H-1,5-benzodiazepin-2-yl)phenol?
The canonical SMILES for 5-chloro-2-(4-naphthalen-1-yl-3H-1,5-benzodiazepin-2-yl)phenol is Oc1cc(Cl)ccc1C1=Nc2ccccc2N=C(c2cccc3ccccc23)C1.
What is the InChIKey of 5-chloro-2-(4-naphthalen-1-yl-3H-1,5-benzodiazepin-2-yl)phenol?
The InChIKey is SMBBXVYUSYPKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17ClN2O/c26-17-12-13-20(25(29)14-17)24-15-23(27-21-10-3-4-11-22(21)28-24)19-9-5-7-16-6-1-2-8-18(16)19/h1-14,29H,15H2.
What are the key properties of 5-chloro-2-(4-naphthalen-1-yl-3H-1,5-benzodiazepin-2-yl)phenol?
5-chloro-2-(4-naphthalen-1-yl-3H-1,5-benzodiazepin-2-yl)phenol has a molecular weight of 396.88 g/mol, XLogP of 6.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(4-naphthalen-1-yl-3H-1,5-benzodiazepin-2-yl)phenol is sourced from PubChem (CID 136827439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).