7-chloro-2,2,4-trimethyl-1,3-dihydro-1,5-benzodiazepine

C12H15ClN2 — CID 11253056

IUPAC7-chloro-2,2,4-trimethyl-1,3-dihydro-1,5-benzodiazepine
SMILESCC1=Nc2cc(Cl)ccc2NC(C)(C)C1
InChIInChI=1S/C12H15ClN2/c1-8-7-12(2,3)15-10-5-4-9(13)6-11(10)14-8/h4-6,15H,7H2,1-3H3
InChIKeyOYKXLIXZNQDKHD-UHFFFAOYSA-N
MW222.72 g/mol
LogP4.03
Rot. Bonds

About 7-chloro-2,2,4-trimethyl-1,3-dihydro-1,5-benzodiazepine

7-chloro-2,2,4-trimethyl-1,3-dihydro-1,5-benzodiazepine (PubChem CID 11253056) has the molecular formula C12H15ClN2 and a molecular weight of 222.72 g/mol. Its IUPAC name is 7-chloro-2,2,4-trimethyl-1,3-dihydro-1,5-benzodiazepine.

Molecular Properties

Compound Name7-chloro-2,2,4-trimethyl-1,3-dihydro-1,5-benzodiazepine
PubChem CID11253056
Molecular FormulaC12H15ClN2
Molecular Weight222.72 g/mol
Exact Mass222.09
IUPAC Name7-chloro-2,2,4-trimethyl-1,3-dihydro-1,5-benzodiazepine
SMILESCC1=Nc2cc(Cl)ccc2NC(C)(C)C1
InChIInChI=1S/C12H15ClN2/c1-8-7-12(2,3)15-10-5-4-9(13)6-11(10)14-8/h4-6,15H,7H2,1-3H3
InChIKeyOYKXLIXZNQDKHD-UHFFFAOYSA-N
XLogP4.03
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-Dihydro-2,2,4-trimethyl-1H-1,5-benzodiazepine
CID 291064
4-chloro-N1-phenylbenzene-1,2-diamine
CID 264999
3-(4-Chloroanilino)-3-methyl-2-butanone oxime
CID 9583905
4-chloro-N1-methylbenzene-1,2-diamine
CID 640701
2,4-Diethyl-2-methyl-2,3-dihydro-1h-1,5-benzo-diazepine
CID 11458601
5-chloro-N1-methylbenzene-1,2-diamine
CID 12198266
1,2-Benzenediamine, 4-chloro-N1-ethyl-
CID 112845
7-Chloro-2,4-dimethyl-3H-1,5-benzodiazepine
CID 430267
1H-1,5-Benzodiazepine, 7,8-dichloro-2,3-dihydro-2,2,4-trimethyl-
CID 2826637
6-chloro-3-isopropyl-1H-quinoxalin-2-one
CID 491331
4-Chloro-N~1~-(propan-2-yl)benzene-1,2-diamine
CID 2735745
7-Chloro-4-phenyl-1,3-dihydro-1,5-benzodiazepine-2-thione
CID 14042939

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2,2,4-trimethyl-1,3-dihydro-1,5-benzodiazepine?
The IUPAC name of 7-chloro-2,2,4-trimethyl-1,3-dihydro-1,5-benzodiazepine (CID 11253056) is 7-chloro-2,2,4-trimethyl-1,3-dihydro-1,5-benzodiazepine.
What is the SMILES notation for 7-chloro-2,2,4-trimethyl-1,3-dihydro-1,5-benzodiazepine?
The canonical SMILES for 7-chloro-2,2,4-trimethyl-1,3-dihydro-1,5-benzodiazepine is CC1=Nc2cc(Cl)ccc2NC(C)(C)C1.
What is the InChIKey of 7-chloro-2,2,4-trimethyl-1,3-dihydro-1,5-benzodiazepine?
The InChIKey is OYKXLIXZNQDKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2/c1-8-7-12(2,3)15-10-5-4-9(13)6-11(10)14-8/h4-6,15H,7H2,1-3H3.
What are the key properties of 7-chloro-2,2,4-trimethyl-1,3-dihydro-1,5-benzodiazepine?
7-chloro-2,2,4-trimethyl-1,3-dihydro-1,5-benzodiazepine has a molecular weight of 222.72 g/mol, XLogP of 4.03, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2,2,4-trimethyl-1,3-dihydro-1,5-benzodiazepine is sourced from PubChem (CID 11253056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).