3-benzyl-7-chloro-5-(2-hydroxy-2,3-dihydro-1H-benzimidazol-5-yl)-1,3-dihydro-1,4-benzodiazepin-2-one

C23H19ClN4O2 — CID 145475835

IUPAC3-benzyl-7-chloro-5-(2-hydroxy-2,3-dihydro-1H-benzimidazol-5-yl)-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESO=C1Nc2ccc(Cl)cc2C(c2ccc3c(c2)NC(O)N3)=NC1Cc1ccccc1
InChIInChI=1S/C23H19ClN4O2/c24-15-7-9-17-16(12-15)21(14-6-8-18-19(11-14)28-23(30)27-18)25-20(22(29)26-17)10-13-4-2-1-3-5-13/h1-9,11-12,20,23,27-28,30H,10H2,(H,26,29)
InChIKeyLTNBRQJGJLORBL-UHFFFAOYSA-N
MW418.88 g/mol
LogP3.85
Rot. Bonds3

About 3-benzyl-7-chloro-5-(2-hydroxy-2,3-dihydro-1H-benzimidazol-5-yl)-1,3-dihydro-1,4-benzodiazepin-2-one

3-benzyl-7-chloro-5-(2-hydroxy-2,3-dihydro-1H-benzimidazol-5-yl)-1,3-dihydro-1,4-benzodiazepin-2-one (PubChem CID 145475835) has the molecular formula C23H19ClN4O2 and a molecular weight of 418.88 g/mol. Its IUPAC name is 3-benzyl-7-chloro-5-(2-hydroxy-2,3-dihydro-1H-benzimidazol-5-yl)-1,3-dihydro-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name3-benzyl-7-chloro-5-(2-hydroxy-2,3-dihydro-1H-benzimidazol-5-yl)-1,3-dihydro-1,4-benzodiazepin-2-one
PubChem CID145475835
Molecular FormulaC23H19ClN4O2
Molecular Weight418.88 g/mol
Exact Mass418.12
IUPAC Name3-benzyl-7-chloro-5-(2-hydroxy-2,3-dihydro-1H-benzimidazol-5-yl)-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESO=C1Nc2ccc(Cl)cc2C(c2ccc3c(c2)NC(O)N3)=NC1Cc1ccccc1
InChIInChI=1S/C23H19ClN4O2/c24-15-7-9-17-16(12-15)21(14-6-8-18-19(11-14)28-23(30)27-18)25-20(22(29)26-17)10-13-4-2-1-3-5-13/h1-9,11-12,20,23,27-28,30H,10H2,(H,26,29)
InChIKeyLTNBRQJGJLORBL-UHFFFAOYSA-N
XLogP3.85
TPSA85.75 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.88
LogP ≤ 53.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

3-benzyl-7-chloro-5-(4-hydroxyphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one;2-methylpropane
CID 158855296
3-benzyl-7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepine-2-thione
CID 139413985
N-[4-(3-benzyl-7-chloro-2-oxo-1,3-dihydro-1,4-benzodiazepin-5-yl)phenyl]-4-(dimethylamino)butanamide;ethane
CID 123819680
7-chloro-3-[(3-ethylphenyl)methyl]-5-(4-methylphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
CID 145475879
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
7-chloro-5-(4-methylphenyl)-3-[(2-methylphenyl)methyl]-1,3-dihydro-1,4-benzodiazepin-2-one
CID 145475788
7-chloro-3-[(4-chlorophenyl)methyl]-5-(1-ethyl-2-oxo-3H-benzimidazol-5-yl)-1,3-dihydro-1,4-benzodiazepin-2-one
CID 75600394
3-benzyl-7-chloro-5-(2-chlorophenyl)-1,3-dihydro-1,4-benzodiazepine-2-thione
CID 139414162
7-chloro-3-hydroxy-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one;molecular hydrogen
CID 159104531
[(3R)-7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]methyl acetate
CID 10871620
7-chloro-3-(2-methylsulfanylethyl)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 15556523

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-7-chloro-5-(2-hydroxy-2,3-dihydro-1H-benzimidazol-5-yl)-1,3-dihydro-1,4-benzodiazepin-2-one?
The IUPAC name of 3-benzyl-7-chloro-5-(2-hydroxy-2,3-dihydro-1H-benzimidazol-5-yl)-1,3-dihydro-1,4-benzodiazepin-2-one (CID 145475835) is 3-benzyl-7-chloro-5-(2-hydroxy-2,3-dihydro-1H-benzimidazol-5-yl)-1,3-dihydro-1,4-benzodiazepin-2-one.
What is the SMILES notation for 3-benzyl-7-chloro-5-(2-hydroxy-2,3-dihydro-1H-benzimidazol-5-yl)-1,3-dihydro-1,4-benzodiazepin-2-one?
The canonical SMILES for 3-benzyl-7-chloro-5-(2-hydroxy-2,3-dihydro-1H-benzimidazol-5-yl)-1,3-dihydro-1,4-benzodiazepin-2-one is O=C1Nc2ccc(Cl)cc2C(c2ccc3c(c2)NC(O)N3)=NC1Cc1ccccc1.
What is the InChIKey of 3-benzyl-7-chloro-5-(2-hydroxy-2,3-dihydro-1H-benzimidazol-5-yl)-1,3-dihydro-1,4-benzodiazepin-2-one?
The InChIKey is LTNBRQJGJLORBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O2/c24-15-7-9-17-16(12-15)21(14-6-8-18-19(11-14)28-23(30)27-18)25-20(22(29)26-17)10-13-4-2-1-3-5-13/h1-9,11-12,20,23,27-28,30H,10H2,(H,26,29).
What are the key properties of 3-benzyl-7-chloro-5-(2-hydroxy-2,3-dihydro-1H-benzimidazol-5-yl)-1,3-dihydro-1,4-benzodiazepin-2-one?
3-benzyl-7-chloro-5-(2-hydroxy-2,3-dihydro-1H-benzimidazol-5-yl)-1,3-dihydro-1,4-benzodiazepin-2-one has a molecular weight of 418.88 g/mol, XLogP of 3.85, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-7-chloro-5-(2-hydroxy-2,3-dihydro-1H-benzimidazol-5-yl)-1,3-dihydro-1,4-benzodiazepin-2-one is sourced from PubChem (CID 145475835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).