4-benzyl-1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepine

C18H22N2 — CID 11402886

IUPAC4-benzyl-1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepine
SMILESCC1CN(C)c2ccccc2CN1Cc1ccccc1
InChIInChI=1S/C18H22N2/c1-15-12-19(2)18-11-7-6-10-17(18)14-20(15)13-16-8-4-3-5-9-16/h3-11,15H,12-14H2,1-2H3
InChIKeyIWGKYFMZMABLLQ-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.53
Rot. Bonds2

About 4-benzyl-1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepine

4-benzyl-1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepine (PubChem CID 11402886) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 4-benzyl-1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepine.

Molecular Properties

Compound Name4-benzyl-1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepine
PubChem CID11402886
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name4-benzyl-1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepine
SMILESCC1CN(C)c2ccccc2CN1Cc1ccccc1
InChIInChI=1S/C18H22N2/c1-15-12-19(2)18-11-7-6-10-17(18)14-20(15)13-16-8-4-3-5-9-16/h3-11,15H,12-14H2,1-2H3
InChIKeyIWGKYFMZMABLLQ-UHFFFAOYSA-N
XLogP3.53
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-2-[(3S)-1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]acetamide
CID 95974838
4-(1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-2,2-dimethylbutanenitrile
CID 75393968
1-benzyl-2,4,5-trimethylpiperazine
CID 72621990
3-[(3R)-1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-1-morpholin-4-ylpropan-1-one
CID 96837490
4,11-dibenzyl-1,5,8,12-tetramethyl-1,4,8,11-tetrazacyclotetradecane
CID 101436229
1-benzyl-2,4-dimethylpiperazine;ethane
CID 145145723
(4S)-1-benzyl-2,4-dimethylpyrrolidine
CID 118651465
(2S,4R)-1-benzyl-2,4-dimethylpyrrolidine
CID 15316822
3-amino-1-[(3S)-1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]propan-1-one
CID 124695776
5-benzyl-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 162422052
(3S)-1,3-dimethyl-3,4-dihydro-2H-quinoline
CID 40526138
2-(3-ethyl-1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)acetonitrile
CID 71921549

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepine?
The IUPAC name of 4-benzyl-1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepine (CID 11402886) is 4-benzyl-1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepine.
What is the SMILES notation for 4-benzyl-1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepine?
The canonical SMILES for 4-benzyl-1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepine is CC1CN(C)c2ccccc2CN1Cc1ccccc1.
What is the InChIKey of 4-benzyl-1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepine?
The InChIKey is IWGKYFMZMABLLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-15-12-19(2)18-11-7-6-10-17(18)14-20(15)13-16-8-4-3-5-9-16/h3-11,15H,12-14H2,1-2H3.
What are the key properties of 4-benzyl-1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepine?
4-benzyl-1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepine has a molecular weight of 266.39 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepine is sourced from PubChem (CID 11402886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).