N-propyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide

C15H16N4O — CID 67884282

IUPACN-propyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide
SMILESCCCNC(=O)c1ncn2c1CN=Cc1ccccc1-2
InChIInChI=1S/C15H16N4O/c1-2-7-17-15(20)14-13-9-16-8-11-5-3-4-6-12(11)19(13)10-18-14/h3-6,8,10H,2,7,9H2,1H3,(H,17,20)
InChIKeyLHHMKUJYPPUWFD-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.94
Rot. Bonds3

About N-propyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide

N-propyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide (PubChem CID 67884282) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is N-propyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide.

Molecular Properties

Compound NameN-propyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide
PubChem CID67884282
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC NameN-propyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide
SMILESCCCNC(=O)c1ncn2c1CN=Cc1ccccc1-2
InChIInChI=1S/C15H16N4O/c1-2-7-17-15(20)14-13-9-16-8-11-5-3-4-6-12(11)19(13)10-18-14/h3-6,8,10H,2,7,9H2,1H3,(H,17,20)
InChIKeyLHHMKUJYPPUWFD-UHFFFAOYSA-N
XLogP1.94
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-propyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide?
The IUPAC name of N-propyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide (CID 67884282) is N-propyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide.
What is the SMILES notation for N-propyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide?
The canonical SMILES for N-propyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide is CCCNC(=O)c1ncn2c1CN=Cc1ccccc1-2.
What is the InChIKey of N-propyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide?
The InChIKey is LHHMKUJYPPUWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-2-7-17-15(20)14-13-9-16-8-11-5-3-4-6-12(11)19(13)10-18-14/h3-6,8,10H,2,7,9H2,1H3,(H,17,20).
What are the key properties of N-propyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide?
N-propyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide has a molecular weight of 268.32 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide is sourced from PubChem (CID 67884282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).