5-chloro-1-methyl-2-methylidene-3H-1,4-benzodiazepine

C11H11ClN2 — CID 142064766

IUPAC5-chloro-1-methyl-2-methylidene-3H-1,4-benzodiazepine
SMILESC=C1CN=C(Cl)c2ccccc2N1C
InChIInChI=1S/C11H11ClN2/c1-8-7-13-11(12)9-5-3-4-6-10(9)14(8)2/h3-6H,1,7H2,2H3
InChIKeyVFPWGNDIRLYULY-UHFFFAOYSA-N
MW206.68 g/mol
LogP2.64
Rot. Bonds

About 5-chloro-1-methyl-2-methylidene-3H-1,4-benzodiazepine

5-chloro-1-methyl-2-methylidene-3H-1,4-benzodiazepine (PubChem CID 142064766) has the molecular formula C11H11ClN2 and a molecular weight of 206.68 g/mol. Its IUPAC name is 5-chloro-1-methyl-2-methylidene-3H-1,4-benzodiazepine.

Molecular Properties

Compound Name5-chloro-1-methyl-2-methylidene-3H-1,4-benzodiazepine
PubChem CID142064766
Molecular FormulaC11H11ClN2
Molecular Weight206.68 g/mol
Exact Mass206.06
IUPAC Name5-chloro-1-methyl-2-methylidene-3H-1,4-benzodiazepine
SMILESC=C1CN=C(Cl)c2ccccc2N1C
InChIInChI=1S/C11H11ClN2/c1-8-7-13-11(12)9-5-3-4-6-10(9)14(8)2/h3-6H,1,7H2,2H3
InChIKeyVFPWGNDIRLYULY-UHFFFAOYSA-N
XLogP2.64
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.68
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-chloro-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-one
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7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one;fluorobenzene
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3-methylidene-1-(3-methylidene-2H-indol-1-yl)-2H-indole
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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-2-methylidene-3H-1,4-benzodiazepine?
The IUPAC name of 5-chloro-1-methyl-2-methylidene-3H-1,4-benzodiazepine (CID 142064766) is 5-chloro-1-methyl-2-methylidene-3H-1,4-benzodiazepine.
What is the SMILES notation for 5-chloro-1-methyl-2-methylidene-3H-1,4-benzodiazepine?
The canonical SMILES for 5-chloro-1-methyl-2-methylidene-3H-1,4-benzodiazepine is C=C1CN=C(Cl)c2ccccc2N1C.
What is the InChIKey of 5-chloro-1-methyl-2-methylidene-3H-1,4-benzodiazepine?
The InChIKey is VFPWGNDIRLYULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2/c1-8-7-13-11(12)9-5-3-4-6-10(9)14(8)2/h3-6H,1,7H2,2H3.
What are the key properties of 5-chloro-1-methyl-2-methylidene-3H-1,4-benzodiazepine?
5-chloro-1-methyl-2-methylidene-3H-1,4-benzodiazepine has a molecular weight of 206.68 g/mol, XLogP of 2.64, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methyl-2-methylidene-3H-1,4-benzodiazepine is sourced from PubChem (CID 142064766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).