7-chloro-3,3-dimethyl-1-(2-methylpropyl)-4,5-dihydro-2H-1,5-benzodiazepine

C15H23ClN2 — CID 117016007

IUPAC7-chloro-3,3-dimethyl-1-(2-methylpropyl)-4,5-dihydro-2H-1,5-benzodiazepine
SMILESCC(C)CN1CC(C)(C)CNc2cc(Cl)ccc21
InChIInChI=1S/C15H23ClN2/c1-11(2)8-18-10-15(3,4)9-17-13-7-12(16)5-6-14(13)18/h5-7,11,17H,8-10H2,1-4H3
InChIKeyFKMDNSMGGUADBU-UHFFFAOYSA-N
MW266.82 g/mol
LogP4.25
Rot. Bonds2

About 7-chloro-3,3-dimethyl-1-(2-methylpropyl)-4,5-dihydro-2H-1,5-benzodiazepine

7-chloro-3,3-dimethyl-1-(2-methylpropyl)-4,5-dihydro-2H-1,5-benzodiazepine (PubChem CID 117016007) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is 7-chloro-3,3-dimethyl-1-(2-methylpropyl)-4,5-dihydro-2H-1,5-benzodiazepine.

Molecular Properties

Compound Name7-chloro-3,3-dimethyl-1-(2-methylpropyl)-4,5-dihydro-2H-1,5-benzodiazepine
PubChem CID117016007
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC Name7-chloro-3,3-dimethyl-1-(2-methylpropyl)-4,5-dihydro-2H-1,5-benzodiazepine
SMILESCC(C)CN1CC(C)(C)CNc2cc(Cl)ccc21
InChIInChI=1S/C15H23ClN2/c1-11(2)8-18-10-15(3,4)9-17-13-7-12(16)5-6-14(13)18/h5-7,11,17H,8-10H2,1-4H3
InChIKeyFKMDNSMGGUADBU-UHFFFAOYSA-N
XLogP4.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-fluoro-3,3-dimethyl-1-pentyl-4,5-dihydro-2H-1,5-benzodiazepine
CID 117016000
7-chloro-1-cyclopropyl-3,3-dimethyl-4,5-dihydro-1,5-benzodiazepin-2-one
CID 117015968
7-chloro-2,2-dimethyl-3,4-dihydro-1λ6,4-benzothiazine 1,1-dioxide
CID 84632106
5-chloro-3-methyl-3-propan-2-yl-1,2-dihydroindole
CID 106701880
7-chlorospiro[1,2,4,5-tetrahydro-1,5-benzodiazepine-3,1'-cyclopropane]
CID 115452175
2-(6-chloro-3-oxo-2,4-dihydroquinoxalin-1-yl)acetaldehyde
CID 83849997
7-chloro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one
CID 115097456
5-chloro-2-[4-(2-methylpropyl)piperazin-1-yl]benzonitrile
CID 62776920
1-(2-aminoethyl)-7-chloro-3,5-dihydro-2H-1,5-benzodiazepin-4-one
CID 84629565
1-(7-chloro-3,4-dihydro-2H-quinoxalin-1-yl)propan-2-ol
CID 117235986
6-chloro-2-methylidene-3-(1-propan-2-ylpiperidin-4-yl)-1H-benzimidazole
CID 58547344
7-chlorospiro[1,2,4,5-tetrahydro-1,5-benzodiazepine-3,1'-cyclobutane]
CID 115447294

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3,3-dimethyl-1-(2-methylpropyl)-4,5-dihydro-2H-1,5-benzodiazepine?
The IUPAC name of 7-chloro-3,3-dimethyl-1-(2-methylpropyl)-4,5-dihydro-2H-1,5-benzodiazepine (CID 117016007) is 7-chloro-3,3-dimethyl-1-(2-methylpropyl)-4,5-dihydro-2H-1,5-benzodiazepine.
What is the SMILES notation for 7-chloro-3,3-dimethyl-1-(2-methylpropyl)-4,5-dihydro-2H-1,5-benzodiazepine?
The canonical SMILES for 7-chloro-3,3-dimethyl-1-(2-methylpropyl)-4,5-dihydro-2H-1,5-benzodiazepine is CC(C)CN1CC(C)(C)CNc2cc(Cl)ccc21.
What is the InChIKey of 7-chloro-3,3-dimethyl-1-(2-methylpropyl)-4,5-dihydro-2H-1,5-benzodiazepine?
The InChIKey is FKMDNSMGGUADBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-11(2)8-18-10-15(3,4)9-17-13-7-12(16)5-6-14(13)18/h5-7,11,17H,8-10H2,1-4H3.
What are the key properties of 7-chloro-3,3-dimethyl-1-(2-methylpropyl)-4,5-dihydro-2H-1,5-benzodiazepine?
7-chloro-3,3-dimethyl-1-(2-methylpropyl)-4,5-dihydro-2H-1,5-benzodiazepine has a molecular weight of 266.82 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3,3-dimethyl-1-(2-methylpropyl)-4,5-dihydro-2H-1,5-benzodiazepine is sourced from PubChem (CID 117016007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).