5-phenyl-3H-1,4-benzodiazepin-2-amine

C15H13N3 — CID 12569587

IUPAC5-phenyl-3H-1,4-benzodiazepin-2-amine
SMILESNC1=Nc2ccccc2C(c2ccccc2)=NC1
InChIInChI=1S/C15H13N3/c16-14-10-17-15(11-6-2-1-3-7-11)12-8-4-5-9-13(12)18-14/h1-9H,10H2,(H2,16,18)
InChIKeyCCXDTSHAFSPWMG-UHFFFAOYSA-N
MW235.29 g/mol
LogP2.53
Rot. Bonds1

About 5-phenyl-3H-1,4-benzodiazepin-2-amine

5-phenyl-3H-1,4-benzodiazepin-2-amine (PubChem CID 12569587) has the molecular formula C15H13N3 and a molecular weight of 235.29 g/mol. Its IUPAC name is 5-phenyl-3H-1,4-benzodiazepin-2-amine.

Molecular Properties

Compound Name5-phenyl-3H-1,4-benzodiazepin-2-amine
PubChem CID12569587
Molecular FormulaC15H13N3
Molecular Weight235.29 g/mol
Exact Mass235.11
IUPAC Name5-phenyl-3H-1,4-benzodiazepin-2-amine
SMILESNC1=Nc2ccccc2C(c2ccccc2)=NC1
InChIInChI=1S/C15H13N3/c16-14-10-17-15(11-6-2-1-3-7-11)12-8-4-5-9-13(12)18-14/h1-9H,10H2,(H2,16,18)
InChIKeyCCXDTSHAFSPWMG-UHFFFAOYSA-N
XLogP2.53
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3H-1,4-benzodiazepin-2-amine?
The IUPAC name of 5-phenyl-3H-1,4-benzodiazepin-2-amine (CID 12569587) is 5-phenyl-3H-1,4-benzodiazepin-2-amine.
What is the SMILES notation for 5-phenyl-3H-1,4-benzodiazepin-2-amine?
The canonical SMILES for 5-phenyl-3H-1,4-benzodiazepin-2-amine is NC1=Nc2ccccc2C(c2ccccc2)=NC1.
What is the InChIKey of 5-phenyl-3H-1,4-benzodiazepin-2-amine?
The InChIKey is CCXDTSHAFSPWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3/c16-14-10-17-15(11-6-2-1-3-7-11)12-8-4-5-9-13(12)18-14/h1-9H,10H2,(H2,16,18).
What are the key properties of 5-phenyl-3H-1,4-benzodiazepin-2-amine?
5-phenyl-3H-1,4-benzodiazepin-2-amine has a molecular weight of 235.29 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3H-1,4-benzodiazepin-2-amine is sourced from PubChem (CID 12569587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).