7-chloro-1-methyl-5-phenyl-3-propyl-3H-1,4-benzodiazepin-2-one

C19H19ClN2O — CID 11823602

IUPAC7-chloro-1-methyl-5-phenyl-3-propyl-3H-1,4-benzodiazepin-2-one
SMILESCCCC1N=C(c2ccccc2)c2cc(Cl)ccc2N(C)C1=O
InChIInChI=1S/C19H19ClN2O/c1-3-7-16-19(23)22(2)17-11-10-14(20)12-15(17)18(21-16)13-8-5-4-6-9-13/h4-6,8-12,16H,3,7H2,1-2H3
InChIKeyTWFZHNVNCIVSKR-UHFFFAOYSA-N
MW326.83 g/mol
LogP4.32
Rot. Bonds3

About 7-chloro-1-methyl-5-phenyl-3-propyl-3H-1,4-benzodiazepin-2-one

7-chloro-1-methyl-5-phenyl-3-propyl-3H-1,4-benzodiazepin-2-one (PubChem CID 11823602) has the molecular formula C19H19ClN2O and a molecular weight of 326.83 g/mol. Its IUPAC name is 7-chloro-1-methyl-5-phenyl-3-propyl-3H-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name7-chloro-1-methyl-5-phenyl-3-propyl-3H-1,4-benzodiazepin-2-one
PubChem CID11823602
Molecular FormulaC19H19ClN2O
Molecular Weight326.83 g/mol
Exact Mass326.12
IUPAC Name7-chloro-1-methyl-5-phenyl-3-propyl-3H-1,4-benzodiazepin-2-one
SMILESCCCC1N=C(c2ccccc2)c2cc(Cl)ccc2N(C)C1=O
InChIInChI=1S/C19H19ClN2O/c1-3-7-16-19(23)22(2)17-11-10-14(20)12-15(17)18(21-16)13-8-5-4-6-9-13/h4-6,8-12,16H,3,7H2,1-2H3
InChIKeyTWFZHNVNCIVSKR-UHFFFAOYSA-N
XLogP4.32
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-aminoethyl)-7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one
CID 167076834
7-chloro-3-(1-hydroxybutyl)-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one
CID 101062094
7-chloro-1-methyl-5-(4-methylphenyl)-3-[(2-methylphenyl)methyl]-3H-1,4-benzodiazepin-2-one
CID 145475887
7-chloro-3-[(3-ethylphenyl)methyl]-1-methyl-5-(4-methylphenyl)-3H-1,4-benzodiazepin-2-one
CID 145475789
7-chloro-5-(2-chlorophenyl)-3-hydroxy-1-methyl-3H-1,4-benzodiazepin-2-one;7-chloro-3-hydroxy-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one
CID 67151104
[(3R)-7-chloro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl] acetate
CID 40536221
(3R)-7-chloro-3-[(S)-(4-chlorophenyl)-hydroxymethyl]-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one
CID 101245126
7-chloro-5-(4-hydroxyphenyl)-1-methyl-3-[3-[2-(2-methylphenyl)phenyl]propyl]-3H-1,4-benzodiazepin-2-one
CID 143199536
1-(7-chloro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-3-pentan-2-ylthiourea
CID 59713663
7-chloro-5-(4-fluorophenyl)-1-methyl-3-[(2-propan-2-ylphenyl)methyl]-3H-1,4-benzodiazepin-2-one
CID 68557374
7-chloro-5-(4-hydroxyphenyl)-1-methyl-3-[(4-methylphenyl)methyl]-3H-1,4-benzodiazepin-2-one
CID 135869708
7-chloro-3-[(3,5-diethylphenyl)methyl]-5-(4-methoxyphenyl)-1-methyl-3H-1,4-benzodiazepin-2-one
CID 66741919

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-methyl-5-phenyl-3-propyl-3H-1,4-benzodiazepin-2-one?
The IUPAC name of 7-chloro-1-methyl-5-phenyl-3-propyl-3H-1,4-benzodiazepin-2-one (CID 11823602) is 7-chloro-1-methyl-5-phenyl-3-propyl-3H-1,4-benzodiazepin-2-one.
What is the SMILES notation for 7-chloro-1-methyl-5-phenyl-3-propyl-3H-1,4-benzodiazepin-2-one?
The canonical SMILES for 7-chloro-1-methyl-5-phenyl-3-propyl-3H-1,4-benzodiazepin-2-one is CCCC1N=C(c2ccccc2)c2cc(Cl)ccc2N(C)C1=O.
What is the InChIKey of 7-chloro-1-methyl-5-phenyl-3-propyl-3H-1,4-benzodiazepin-2-one?
The InChIKey is TWFZHNVNCIVSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O/c1-3-7-16-19(23)22(2)17-11-10-14(20)12-15(17)18(21-16)13-8-5-4-6-9-13/h4-6,8-12,16H,3,7H2,1-2H3.
What are the key properties of 7-chloro-1-methyl-5-phenyl-3-propyl-3H-1,4-benzodiazepin-2-one?
7-chloro-1-methyl-5-phenyl-3-propyl-3H-1,4-benzodiazepin-2-one has a molecular weight of 326.83 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-methyl-5-phenyl-3-propyl-3H-1,4-benzodiazepin-2-one is sourced from PubChem (CID 11823602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).