7-chloro-5-cyclohexyl-3-methyl-1,3-dihydro-1,4-benzodiazepin-2-one

C16H19ClN2O — CID 163610343

IUPAC7-chloro-5-cyclohexyl-3-methyl-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESCC1N=C(C2CCCCC2)c2cc(Cl)ccc2NC1=O
InChIInChI=1S/C16H19ClN2O/c1-10-16(20)19-14-8-7-12(17)9-13(14)15(18-10)11-5-3-2-4-6-11/h7-11H,2-6H2,1H3,(H,19,20)
InChIKeyHFJFKXXVKDKSGD-UHFFFAOYSA-N
MW290.79 g/mol
LogP4.05
Rot. Bonds1

About 7-chloro-5-cyclohexyl-3-methyl-1,3-dihydro-1,4-benzodiazepin-2-one

7-chloro-5-cyclohexyl-3-methyl-1,3-dihydro-1,4-benzodiazepin-2-one (PubChem CID 163610343) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is 7-chloro-5-cyclohexyl-3-methyl-1,3-dihydro-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name7-chloro-5-cyclohexyl-3-methyl-1,3-dihydro-1,4-benzodiazepin-2-one
PubChem CID163610343
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name7-chloro-5-cyclohexyl-3-methyl-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESCC1N=C(C2CCCCC2)c2cc(Cl)ccc2NC1=O
InChIInChI=1S/C16H19ClN2O/c1-10-16(20)19-14-8-7-12(17)9-13(14)15(18-10)11-5-3-2-4-6-11/h7-11H,2-6H2,1H3,(H,19,20)
InChIKeyHFJFKXXVKDKSGD-UHFFFAOYSA-N
XLogP4.05
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-7-chloro-3-methyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 3032960
(3S)-8-chloro-1-cyclohexyl-3-propan-2-yl-3,5-dihydro-2-benzazepin-4-one
CID 159027118
2-chloro-9,9-dimethyl-5,6a,7,8-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione
CID 19917714
5-chloro-3-(cyclohexylmethyl)-1,3-dihydroindol-2-one
CID 19076497
(5-cycloheptyl-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl) acetate
CID 135829360
(6aR)-2-chloro-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione
CID 122561251
7-chloro-3-[(4-cyclopropylphenyl)methyl]-5-(3-methyl-2-oxo-1,3-dihydroindol-6-yl)-1,3-dihydro-1,4-benzodiazepin-2-one
CID 51030981
(3S)-7-chloro-3-(cyclopropylmethyl)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 139414077
(3S)-7-bromo-5-(2-chlorophenyl)-3-methyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 1372514
7-chloro-3-methyl-5-(4-methylphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one;6-propyl-1,2-dihydronaphthalene
CID 143452604
6-chloro-3-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-quinoxalin-2-one
CID 113316496
(3E)-5-chloro-3-piperidin-1-ylimino-1H-indol-2-one
CID 135689178

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-cyclohexyl-3-methyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The IUPAC name of 7-chloro-5-cyclohexyl-3-methyl-1,3-dihydro-1,4-benzodiazepin-2-one (CID 163610343) is 7-chloro-5-cyclohexyl-3-methyl-1,3-dihydro-1,4-benzodiazepin-2-one.
What is the SMILES notation for 7-chloro-5-cyclohexyl-3-methyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The canonical SMILES for 7-chloro-5-cyclohexyl-3-methyl-1,3-dihydro-1,4-benzodiazepin-2-one is CC1N=C(C2CCCCC2)c2cc(Cl)ccc2NC1=O.
What is the InChIKey of 7-chloro-5-cyclohexyl-3-methyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The InChIKey is HFJFKXXVKDKSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-10-16(20)19-14-8-7-12(17)9-13(14)15(18-10)11-5-3-2-4-6-11/h7-11H,2-6H2,1H3,(H,19,20).
What are the key properties of 7-chloro-5-cyclohexyl-3-methyl-1,3-dihydro-1,4-benzodiazepin-2-one?
7-chloro-5-cyclohexyl-3-methyl-1,3-dihydro-1,4-benzodiazepin-2-one has a molecular weight of 290.79 g/mol, XLogP of 4.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-cyclohexyl-3-methyl-1,3-dihydro-1,4-benzodiazepin-2-one is sourced from PubChem (CID 163610343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).