7-chloro-2-phenyl-4,5-dihydro-1H-1,3-benzodiazepin-8-ol

C15H13ClN2O — CID 45484542

IUPAC7-chloro-2-phenyl-4,5-dihydro-1H-1,3-benzodiazepin-8-ol
SMILESOc1cc2c(cc1Cl)CCN=C(c1ccccc1)N2
InChIInChI=1S/C15H13ClN2O/c16-12-8-11-6-7-17-15(10-4-2-1-3-5-10)18-13(11)9-14(12)19/h1-5,8-9,19H,6-7H2,(H,17,18)
InChIKeyAROPOXXPRMDNBW-UHFFFAOYSA-N
MW272.74 g/mol
LogP3.46
Rot. Bonds1

About 7-chloro-2-phenyl-4,5-dihydro-1H-1,3-benzodiazepin-8-ol

7-chloro-2-phenyl-4,5-dihydro-1H-1,3-benzodiazepin-8-ol (PubChem CID 45484542) has the molecular formula C15H13ClN2O and a molecular weight of 272.74 g/mol. Its IUPAC name is 7-chloro-2-phenyl-4,5-dihydro-1H-1,3-benzodiazepin-8-ol.

Molecular Properties

Compound Name7-chloro-2-phenyl-4,5-dihydro-1H-1,3-benzodiazepin-8-ol
PubChem CID45484542
Molecular FormulaC15H13ClN2O
Molecular Weight272.74 g/mol
Exact Mass272.07
IUPAC Name7-chloro-2-phenyl-4,5-dihydro-1H-1,3-benzodiazepin-8-ol
SMILESOc1cc2c(cc1Cl)CCN=C(c1ccccc1)N2
InChIInChI=1S/C15H13ClN2O/c16-12-8-11-6-7-17-15(10-4-2-1-3-5-10)18-13(11)9-14(12)19/h1-5,8-9,19H,6-7H2,(H,17,18)
InChIKeyAROPOXXPRMDNBW-UHFFFAOYSA-N
XLogP3.46
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-phenyl-4,5-dihydro-1H-1,3-benzodiazepin-8-ol?
The IUPAC name of 7-chloro-2-phenyl-4,5-dihydro-1H-1,3-benzodiazepin-8-ol (CID 45484542) is 7-chloro-2-phenyl-4,5-dihydro-1H-1,3-benzodiazepin-8-ol.
What is the SMILES notation for 7-chloro-2-phenyl-4,5-dihydro-1H-1,3-benzodiazepin-8-ol?
The canonical SMILES for 7-chloro-2-phenyl-4,5-dihydro-1H-1,3-benzodiazepin-8-ol is Oc1cc2c(cc1Cl)CCN=C(c1ccccc1)N2.
What is the InChIKey of 7-chloro-2-phenyl-4,5-dihydro-1H-1,3-benzodiazepin-8-ol?
The InChIKey is AROPOXXPRMDNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O/c16-12-8-11-6-7-17-15(10-4-2-1-3-5-10)18-13(11)9-14(12)19/h1-5,8-9,19H,6-7H2,(H,17,18).
What are the key properties of 7-chloro-2-phenyl-4,5-dihydro-1H-1,3-benzodiazepin-8-ol?
7-chloro-2-phenyl-4,5-dihydro-1H-1,3-benzodiazepin-8-ol has a molecular weight of 272.74 g/mol, XLogP of 3.46, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-phenyl-4,5-dihydro-1H-1,3-benzodiazepin-8-ol is sourced from PubChem (CID 45484542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).