7-chloro-10-methyl-5-phenyl-3H-imidazo[4,5-c][1,5]benzodiazepin-4-one

C17H13ClN4O — CID 50942320

IUPAC7-chloro-10-methyl-5-phenyl-3H-imidazo[4,5-c][1,5]benzodiazepin-4-one
SMILESCN1c2ccc(Cl)cc2N(c2ccccc2)C(=O)c2[nH]cnc21
InChIInChI=1S/C17H13ClN4O/c1-21-13-8-7-11(18)9-14(13)22(12-5-3-2-4-6-12)17(23)15-16(21)20-10-19-15/h2-10H,1H3,(H,19,20)
InChIKeySDVXHBYYNDHDIQ-UHFFFAOYSA-N
MW324.77 g/mol
LogP4.12
Rot. Bonds1

About 7-chloro-10-methyl-5-phenyl-3H-imidazo[4,5-c][1,5]benzodiazepin-4-one

7-chloro-10-methyl-5-phenyl-3H-imidazo[4,5-c][1,5]benzodiazepin-4-one (PubChem CID 50942320) has the molecular formula C17H13ClN4O and a molecular weight of 324.77 g/mol. Its IUPAC name is 7-chloro-10-methyl-5-phenyl-3H-imidazo[4,5-c][1,5]benzodiazepin-4-one.

Molecular Properties

Compound Name7-chloro-10-methyl-5-phenyl-3H-imidazo[4,5-c][1,5]benzodiazepin-4-one
PubChem CID50942320
Molecular FormulaC17H13ClN4O
Molecular Weight324.77 g/mol
Exact Mass324.08
IUPAC Name7-chloro-10-methyl-5-phenyl-3H-imidazo[4,5-c][1,5]benzodiazepin-4-one
SMILESCN1c2ccc(Cl)cc2N(c2ccccc2)C(=O)c2[nH]cnc21
InChIInChI=1S/C17H13ClN4O/c1-21-13-8-7-11(18)9-14(13)22(12-5-3-2-4-6-12)17(23)15-16(21)20-10-19-15/h2-10H,1H3,(H,19,20)
InChIKeySDVXHBYYNDHDIQ-UHFFFAOYSA-N
XLogP4.12
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.77
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-10-methyl-5-phenyl-3H-imidazo[4,5-c][1,5]benzodiazepin-4-one?
The IUPAC name of 7-chloro-10-methyl-5-phenyl-3H-imidazo[4,5-c][1,5]benzodiazepin-4-one (CID 50942320) is 7-chloro-10-methyl-5-phenyl-3H-imidazo[4,5-c][1,5]benzodiazepin-4-one.
What is the SMILES notation for 7-chloro-10-methyl-5-phenyl-3H-imidazo[4,5-c][1,5]benzodiazepin-4-one?
The canonical SMILES for 7-chloro-10-methyl-5-phenyl-3H-imidazo[4,5-c][1,5]benzodiazepin-4-one is CN1c2ccc(Cl)cc2N(c2ccccc2)C(=O)c2[nH]cnc21.
What is the InChIKey of 7-chloro-10-methyl-5-phenyl-3H-imidazo[4,5-c][1,5]benzodiazepin-4-one?
The InChIKey is SDVXHBYYNDHDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN4O/c1-21-13-8-7-11(18)9-14(13)22(12-5-3-2-4-6-12)17(23)15-16(21)20-10-19-15/h2-10H,1H3,(H,19,20).
What are the key properties of 7-chloro-10-methyl-5-phenyl-3H-imidazo[4,5-c][1,5]benzodiazepin-4-one?
7-chloro-10-methyl-5-phenyl-3H-imidazo[4,5-c][1,5]benzodiazepin-4-one has a molecular weight of 324.77 g/mol, XLogP of 4.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-10-methyl-5-phenyl-3H-imidazo[4,5-c][1,5]benzodiazepin-4-one is sourced from PubChem (CID 50942320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).