2-cyclopropyl-3-methyl-4-phenyl-4,5-dihydro-1,3-benzodiazepine

C19H20N2 — CID 12920356

IUPAC2-cyclopropyl-3-methyl-4-phenyl-4,5-dihydro-1,3-benzodiazepine
SMILESCN1C(C2CC2)=Nc2ccccc2CC1c1ccccc1
InChIInChI=1S/C19H20N2/c1-21-18(14-7-3-2-4-8-14)13-16-9-5-6-10-17(16)20-19(21)15-11-12-15/h2-10,15,18H,11-13H2,1H3
InChIKeyIYAAAKFICUOWBV-UHFFFAOYSA-N
MW276.38 g/mol
LogP4.36
Rot. Bonds2

About 2-cyclopropyl-3-methyl-4-phenyl-4,5-dihydro-1,3-benzodiazepine

2-cyclopropyl-3-methyl-4-phenyl-4,5-dihydro-1,3-benzodiazepine (PubChem CID 12920356) has the molecular formula C19H20N2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-cyclopropyl-3-methyl-4-phenyl-4,5-dihydro-1,3-benzodiazepine.

Molecular Properties

Compound Name2-cyclopropyl-3-methyl-4-phenyl-4,5-dihydro-1,3-benzodiazepine
PubChem CID12920356
Molecular FormulaC19H20N2
Molecular Weight276.38 g/mol
Exact Mass276.16
IUPAC Name2-cyclopropyl-3-methyl-4-phenyl-4,5-dihydro-1,3-benzodiazepine
SMILESCN1C(C2CC2)=Nc2ccccc2CC1c1ccccc1
InChIInChI=1S/C19H20N2/c1-21-18(14-7-3-2-4-8-14)13-16-9-5-6-10-17(16)20-19(21)15-11-12-15/h2-10,15,18H,11-13H2,1H3
InChIKeyIYAAAKFICUOWBV-UHFFFAOYSA-N
XLogP4.36
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-methyl-4-phenyl-4,5-dihydro-1,3-benzodiazepine?
The IUPAC name of 2-cyclopropyl-3-methyl-4-phenyl-4,5-dihydro-1,3-benzodiazepine (CID 12920356) is 2-cyclopropyl-3-methyl-4-phenyl-4,5-dihydro-1,3-benzodiazepine.
What is the SMILES notation for 2-cyclopropyl-3-methyl-4-phenyl-4,5-dihydro-1,3-benzodiazepine?
The canonical SMILES for 2-cyclopropyl-3-methyl-4-phenyl-4,5-dihydro-1,3-benzodiazepine is CN1C(C2CC2)=Nc2ccccc2CC1c1ccccc1.
What is the InChIKey of 2-cyclopropyl-3-methyl-4-phenyl-4,5-dihydro-1,3-benzodiazepine?
The InChIKey is IYAAAKFICUOWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2/c1-21-18(14-7-3-2-4-8-14)13-16-9-5-6-10-17(16)20-19(21)15-11-12-15/h2-10,15,18H,11-13H2,1H3.
What are the key properties of 2-cyclopropyl-3-methyl-4-phenyl-4,5-dihydro-1,3-benzodiazepine?
2-cyclopropyl-3-methyl-4-phenyl-4,5-dihydro-1,3-benzodiazepine has a molecular weight of 276.38 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-methyl-4-phenyl-4,5-dihydro-1,3-benzodiazepine is sourced from PubChem (CID 12920356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).