7-chloro-5,10-dihydroimidazo[2,1-c][1,4]benzodiazepin-4-one;hydrochloride

C11H9Cl2N3O — CID 70352567

IUPAC7-chloro-5,10-dihydroimidazo[2,1-c][1,4]benzodiazepin-4-one;hydrochloride
SMILESCl.O=C1Nc2cc(Cl)ccc2Cn2ccnc21
InChIInChI=1S/C11H8ClN3O.ClH/c12-8-2-1-7-6-15-4-3-13-10(15)11(16)14-9(7)5-8;/h1-5H,6H2,(H,14,16);1H
InChIKeyZPVYVMIWSICGTB-UHFFFAOYSA-N
MW270.12 g/mol
LogP2.57
Rot. Bonds

About 7-chloro-5,10-dihydroimidazo[2,1-c][1,4]benzodiazepin-4-one;hydrochloride

7-chloro-5,10-dihydroimidazo[2,1-c][1,4]benzodiazepin-4-one;hydrochloride (PubChem CID 70352567) has the molecular formula C11H9Cl2N3O and a molecular weight of 270.12 g/mol. Its IUPAC name is 7-chloro-5,10-dihydroimidazo[2,1-c][1,4]benzodiazepin-4-one;hydrochloride.

Molecular Properties

Compound Name7-chloro-5,10-dihydroimidazo[2,1-c][1,4]benzodiazepin-4-one;hydrochloride
PubChem CID70352567
Molecular FormulaC11H9Cl2N3O
Molecular Weight270.12 g/mol
Exact Mass269.01
IUPAC Name7-chloro-5,10-dihydroimidazo[2,1-c][1,4]benzodiazepin-4-one;hydrochloride
SMILESCl.O=C1Nc2cc(Cl)ccc2Cn2ccnc21
InChIInChI=1S/C11H8ClN3O.ClH/c12-8-2-1-7-6-15-4-3-13-10(15)11(16)14-9(7)5-8;/h1-5H,6H2,(H,14,16);1H
InChIKeyZPVYVMIWSICGTB-UHFFFAOYSA-N
XLogP2.57
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.12
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5,10-dihydroimidazo[2,1-c][1,4]benzodiazepin-4-one;hydrochloride?
The IUPAC name of 7-chloro-5,10-dihydroimidazo[2,1-c][1,4]benzodiazepin-4-one;hydrochloride (CID 70352567) is 7-chloro-5,10-dihydroimidazo[2,1-c][1,4]benzodiazepin-4-one;hydrochloride.
What is the SMILES notation for 7-chloro-5,10-dihydroimidazo[2,1-c][1,4]benzodiazepin-4-one;hydrochloride?
The canonical SMILES for 7-chloro-5,10-dihydroimidazo[2,1-c][1,4]benzodiazepin-4-one;hydrochloride is Cl.O=C1Nc2cc(Cl)ccc2Cn2ccnc21.
What is the InChIKey of 7-chloro-5,10-dihydroimidazo[2,1-c][1,4]benzodiazepin-4-one;hydrochloride?
The InChIKey is ZPVYVMIWSICGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3O.ClH/c12-8-2-1-7-6-15-4-3-13-10(15)11(16)14-9(7)5-8;/h1-5H,6H2,(H,14,16);1H.
What are the key properties of 7-chloro-5,10-dihydroimidazo[2,1-c][1,4]benzodiazepin-4-one;hydrochloride?
7-chloro-5,10-dihydroimidazo[2,1-c][1,4]benzodiazepin-4-one;hydrochloride has a molecular weight of 270.12 g/mol, XLogP of 2.57, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5,10-dihydroimidazo[2,1-c][1,4]benzodiazepin-4-one;hydrochloride is sourced from PubChem (CID 70352567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).