7-chloro-N-methyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-imine

C16H14ClN3 — CID 135400770

IUPAC7-chloro-N-methyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-imine
SMILESC/N=C1\CN=C(c2ccccc2)c2cc(Cl)ccc2N1
InChIInChI=1S/C16H14ClN3/c1-18-15-10-19-16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)20-15/h2-9H,10H2,1H3,(H,18,20)
InChIKeyFAMNQSVPYUAUAF-UHFFFAOYSA-N
MW283.76 g/mol
LogP3.63
Rot. Bonds1

About 7-chloro-N-methyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-imine

7-chloro-N-methyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-imine (PubChem CID 135400770) has the molecular formula C16H14ClN3 and a molecular weight of 283.76 g/mol. Its IUPAC name is 7-chloro-N-methyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-imine.

Molecular Properties

Compound Name7-chloro-N-methyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-imine
PubChem CID135400770
Molecular FormulaC16H14ClN3
Molecular Weight283.76 g/mol
Exact Mass283.09
IUPAC Name7-chloro-N-methyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-imine
SMILESC/N=C1\CN=C(c2ccccc2)c2cc(Cl)ccc2N1
InChIInChI=1S/C16H14ClN3/c1-18-15-10-19-16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)20-15/h2-9H,10H2,1H3,(H,18,20)
InChIKeyFAMNQSVPYUAUAF-UHFFFAOYSA-N
XLogP3.63
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-methyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-imine?
The IUPAC name of 7-chloro-N-methyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-imine (CID 135400770) is 7-chloro-N-methyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-imine.
What is the SMILES notation for 7-chloro-N-methyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-imine?
The canonical SMILES for 7-chloro-N-methyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-imine is C/N=C1\CN=C(c2ccccc2)c2cc(Cl)ccc2N1.
What is the InChIKey of 7-chloro-N-methyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-imine?
The InChIKey is FAMNQSVPYUAUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3/c1-18-15-10-19-16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)20-15/h2-9H,10H2,1H3,(H,18,20).
What are the key properties of 7-chloro-N-methyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-imine?
7-chloro-N-methyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-imine has a molecular weight of 283.76 g/mol, XLogP of 3.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-methyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-imine is sourced from PubChem (CID 135400770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).