8-chloro-10H-imidazo[2,1-c][1,4]benzodiazepine

C11H8ClN3 — CID 3062492

IUPAC8-chloro-10H-imidazo[2,1-c][1,4]benzodiazepine
SMILESClc1ccc2c(c1)Cn1ccnc1C=N2
InChIInChI=1S/C11H8ClN3/c12-9-1-2-10-8(5-9)7-15-4-3-13-11(15)6-14-10/h1-6H,7H2
InChIKeyOUSSAKHVCAAATO-UHFFFAOYSA-N
MW217.66 g/mol
LogP2.65
Rot. Bonds

About 8-chloro-10H-imidazo[2,1-c][1,4]benzodiazepine

8-chloro-10H-imidazo[2,1-c][1,4]benzodiazepine (PubChem CID 3062492) has the molecular formula C11H8ClN3 and a molecular weight of 217.66 g/mol. Its IUPAC name is 8-chloro-10H-imidazo[2,1-c][1,4]benzodiazepine.

Molecular Properties

Compound Name8-chloro-10H-imidazo[2,1-c][1,4]benzodiazepine
PubChem CID3062492
Molecular FormulaC11H8ClN3
Molecular Weight217.66 g/mol
Exact Mass217.04
IUPAC Name8-chloro-10H-imidazo[2,1-c][1,4]benzodiazepine
SMILESClc1ccc2c(c1)Cn1ccnc1C=N2
InChIInChI=1S/C11H8ClN3/c12-9-1-2-10-8(5-9)7-15-4-3-13-11(15)6-14-10/h1-6H,7H2
InChIKeyOUSSAKHVCAAATO-UHFFFAOYSA-N
XLogP2.65
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.66
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-10H-imidazo[2,1-c][1,4]benzodiazepine?
The IUPAC name of 8-chloro-10H-imidazo[2,1-c][1,4]benzodiazepine (CID 3062492) is 8-chloro-10H-imidazo[2,1-c][1,4]benzodiazepine.
What is the SMILES notation for 8-chloro-10H-imidazo[2,1-c][1,4]benzodiazepine?
The canonical SMILES for 8-chloro-10H-imidazo[2,1-c][1,4]benzodiazepine is Clc1ccc2c(c1)Cn1ccnc1C=N2.
What is the InChIKey of 8-chloro-10H-imidazo[2,1-c][1,4]benzodiazepine?
The InChIKey is OUSSAKHVCAAATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3/c12-9-1-2-10-8(5-9)7-15-4-3-13-11(15)6-14-10/h1-6H,7H2.
What are the key properties of 8-chloro-10H-imidazo[2,1-c][1,4]benzodiazepine?
8-chloro-10H-imidazo[2,1-c][1,4]benzodiazepine has a molecular weight of 217.66 g/mol, XLogP of 2.65, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-10H-imidazo[2,1-c][1,4]benzodiazepine is sourced from PubChem (CID 3062492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).