5-methyl-10-phenyl-10H-imidazo[2,1-c][1,4]benzodiazepin-4-one

C18H15N3O — CID 11637842

IUPAC5-methyl-10-phenyl-10H-imidazo[2,1-c][1,4]benzodiazepin-4-one
SMILESCN1C(=O)c2nccn2C(c2ccccc2)c2ccccc21
InChIInChI=1S/C18H15N3O/c1-20-15-10-6-5-9-14(15)16(13-7-3-2-4-8-13)21-12-11-19-17(21)18(20)22/h2-12,16H,1H3
InChIKeyMZHPKNYTHMMWEN-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.11
Rot. Bonds1

About 5-methyl-10-phenyl-10H-imidazo[2,1-c][1,4]benzodiazepin-4-one

5-methyl-10-phenyl-10H-imidazo[2,1-c][1,4]benzodiazepin-4-one (PubChem CID 11637842) has the molecular formula C18H15N3O and a molecular weight of 289.34 g/mol. Its IUPAC name is 5-methyl-10-phenyl-10H-imidazo[2,1-c][1,4]benzodiazepin-4-one.

Molecular Properties

Compound Name5-methyl-10-phenyl-10H-imidazo[2,1-c][1,4]benzodiazepin-4-one
PubChem CID11637842
Molecular FormulaC18H15N3O
Molecular Weight289.34 g/mol
Exact Mass289.12
IUPAC Name5-methyl-10-phenyl-10H-imidazo[2,1-c][1,4]benzodiazepin-4-one
SMILESCN1C(=O)c2nccn2C(c2ccccc2)c2ccccc21
InChIInChI=1S/C18H15N3O/c1-20-15-10-6-5-9-14(15)16(13-7-3-2-4-8-13)21-12-11-19-17(21)18(20)22/h2-12,16H,1H3
InChIKeyMZHPKNYTHMMWEN-UHFFFAOYSA-N
XLogP3.11
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-10-phenyl-10H-imidazo[2,1-c][1,4]benzodiazepin-4-one?
The IUPAC name of 5-methyl-10-phenyl-10H-imidazo[2,1-c][1,4]benzodiazepin-4-one (CID 11637842) is 5-methyl-10-phenyl-10H-imidazo[2,1-c][1,4]benzodiazepin-4-one.
What is the SMILES notation for 5-methyl-10-phenyl-10H-imidazo[2,1-c][1,4]benzodiazepin-4-one?
The canonical SMILES for 5-methyl-10-phenyl-10H-imidazo[2,1-c][1,4]benzodiazepin-4-one is CN1C(=O)c2nccn2C(c2ccccc2)c2ccccc21.
What is the InChIKey of 5-methyl-10-phenyl-10H-imidazo[2,1-c][1,4]benzodiazepin-4-one?
The InChIKey is MZHPKNYTHMMWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O/c1-20-15-10-6-5-9-14(15)16(13-7-3-2-4-8-13)21-12-11-19-17(21)18(20)22/h2-12,16H,1H3.
What are the key properties of 5-methyl-10-phenyl-10H-imidazo[2,1-c][1,4]benzodiazepin-4-one?
5-methyl-10-phenyl-10H-imidazo[2,1-c][1,4]benzodiazepin-4-one has a molecular weight of 289.34 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-10-phenyl-10H-imidazo[2,1-c][1,4]benzodiazepin-4-one is sourced from PubChem (CID 11637842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).