5-benzyl-1-(3-cyclopentylpropyl)-3,4-dihydro-2H-1,5-benzodiazepine

C24H32N2 — CID 167936385

IUPAC5-benzyl-1-(3-cyclopentylpropyl)-3,4-dihydro-2H-1,5-benzodiazepine
SMILESc1ccc(CN2CCCN(CCCC3CCCC3)c3ccccc32)cc1
InChIInChI=1S/C24H32N2/c1-2-12-22(13-3-1)20-26-19-9-18-25(23-15-6-7-16-24(23)26)17-8-14-21-10-4-5-11-21/h1-3,6-7,12-13,15-16,21H,4-5,8-11,14,17-20H2
InChIKeyNCHKFOPETJCXRP-UHFFFAOYSA-N
MW348.53 g/mol
LogP5.87
Rot. Bonds6

About 5-benzyl-1-(3-cyclopentylpropyl)-3,4-dihydro-2H-1,5-benzodiazepine

5-benzyl-1-(3-cyclopentylpropyl)-3,4-dihydro-2H-1,5-benzodiazepine (PubChem CID 167936385) has the molecular formula C24H32N2 and a molecular weight of 348.53 g/mol. Its IUPAC name is 5-benzyl-1-(3-cyclopentylpropyl)-3,4-dihydro-2H-1,5-benzodiazepine.

Molecular Properties

Compound Name5-benzyl-1-(3-cyclopentylpropyl)-3,4-dihydro-2H-1,5-benzodiazepine
PubChem CID167936385
Molecular FormulaC24H32N2
Molecular Weight348.53 g/mol
Exact Mass348.26
IUPAC Name5-benzyl-1-(3-cyclopentylpropyl)-3,4-dihydro-2H-1,5-benzodiazepine
SMILESc1ccc(CN2CCCN(CCCC3CCCC3)c3ccccc32)cc1
InChIInChI=1S/C24H32N2/c1-2-12-22(13-3-1)20-26-19-9-18-25(23-15-6-7-16-24(23)26)17-8-14-21-10-4-5-11-21/h1-3,6-7,12-13,15-16,21H,4-5,8-11,14,17-20H2
InChIKeyNCHKFOPETJCXRP-UHFFFAOYSA-N
XLogP5.87
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.53
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-cyclohexylethyl)-3,4-dihydro-2H-quinoline
CID 154337689
1,4-dibenzyl-3,4-dihydro-2H-quinoline
CID 3249530
1-[(3-chlorophenyl)methyl]-4-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroquinoxaline
CID 170156434
N-[(1S,5R)-3-(3-cyclopentylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-phenylacetamide
CID 166333182
(3R)-1-benzyl-3-(3-chloropropyl)piperidine
CID 97166703
1-benzyl-4-pyrrolidin-1-yl-3,4-dihydro-2H-quinoline
CID 4207738
1-benzyl-3,4-dihydro-2H-quinolin-4-ol
CID 114337756
2-phenylethylcyclooctane
CID 54073487
(1-benzyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-pyrrolidin-3-ylmethanone;dihydrochloride
CID 119891426
(3S)-1-benzyl-4-(2-cyclohexylethyl)-3-methylpiperazine-2,5-dione
CID 165426700
1-(1-benzyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-2-pyrrolidin-2-ylethanone;dihydrochloride
CID 119891418
1-[1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylmethyl)piperidin-4-yl]-3-benzyl-2H-benzimidazole
CID 141057733

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-1-(3-cyclopentylpropyl)-3,4-dihydro-2H-1,5-benzodiazepine?
The IUPAC name of 5-benzyl-1-(3-cyclopentylpropyl)-3,4-dihydro-2H-1,5-benzodiazepine (CID 167936385) is 5-benzyl-1-(3-cyclopentylpropyl)-3,4-dihydro-2H-1,5-benzodiazepine.
What is the SMILES notation for 5-benzyl-1-(3-cyclopentylpropyl)-3,4-dihydro-2H-1,5-benzodiazepine?
The canonical SMILES for 5-benzyl-1-(3-cyclopentylpropyl)-3,4-dihydro-2H-1,5-benzodiazepine is c1ccc(CN2CCCN(CCCC3CCCC3)c3ccccc32)cc1.
What is the InChIKey of 5-benzyl-1-(3-cyclopentylpropyl)-3,4-dihydro-2H-1,5-benzodiazepine?
The InChIKey is NCHKFOPETJCXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2/c1-2-12-22(13-3-1)20-26-19-9-18-25(23-15-6-7-16-24(23)26)17-8-14-21-10-4-5-11-21/h1-3,6-7,12-13,15-16,21H,4-5,8-11,14,17-20H2.
What are the key properties of 5-benzyl-1-(3-cyclopentylpropyl)-3,4-dihydro-2H-1,5-benzodiazepine?
5-benzyl-1-(3-cyclopentylpropyl)-3,4-dihydro-2H-1,5-benzodiazepine has a molecular weight of 348.53 g/mol, XLogP of 5.87, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-1-(3-cyclopentylpropyl)-3,4-dihydro-2H-1,5-benzodiazepine is sourced from PubChem (CID 167936385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).