2-[7-chloro-5-(2-chlorophenyl)-1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl]ethanol;ethane

C19H24Cl2N2O — CID 142893166

IUPAC2-[7-chloro-5-(2-chlorophenyl)-1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl]ethanol;ethane
SMILESCC.OCCN1CCNc2ccc(Cl)cc2C1c1ccccc1Cl
InChIInChI=1S/C17H18Cl2N2O.C2H6/c18-12-5-6-16-14(11-12)17(13-3-1-2-4-15(13)19)21(9-10-22)8-7-20-16;1-2/h1-6,11,17,20,22H,7-10H2;1-2H3
InChIKeyTYZSETOUCWFCQU-UHFFFAOYSA-N
MW367.32 g/mol
LogP4.83
Rot. Bonds3

About 2-[7-chloro-5-(2-chlorophenyl)-1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl]ethanol;ethane

2-[7-chloro-5-(2-chlorophenyl)-1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl]ethanol;ethane (PubChem CID 142893166) has the molecular formula C19H24Cl2N2O and a molecular weight of 367.32 g/mol. Its IUPAC name is 2-[7-chloro-5-(2-chlorophenyl)-1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl]ethanol;ethane.

Molecular Properties

Compound Name2-[7-chloro-5-(2-chlorophenyl)-1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl]ethanol;ethane
PubChem CID142893166
Molecular FormulaC19H24Cl2N2O
Molecular Weight367.32 g/mol
Exact Mass366.13
IUPAC Name2-[7-chloro-5-(2-chlorophenyl)-1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl]ethanol;ethane
SMILESCC.OCCN1CCNc2ccc(Cl)cc2C1c1ccccc1Cl
InChIInChI=1S/C17H18Cl2N2O.C2H6/c18-12-5-6-16-14(11-12)17(13-3-1-2-4-15(13)19)21(9-10-22)8-7-20-16;1-2/h1-6,11,17,20,22H,7-10H2;1-2H3
InChIKeyTYZSETOUCWFCQU-UHFFFAOYSA-N
XLogP4.83
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.32
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[7-chloro-5-(2-chlorophenyl)-1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl]ethanol;ethane with MolForge

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Related Compounds

7-chloro-5-(2-chlorophenyl)-4-[2-(dipropylamino)ethyl]-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 11743627
2-chloro-11-(2-chlorophenyl)-8-ethyl-6,11-dihydro-5H-benzo[c][1]benzazepine
CID 22980180
6-chloro-4-(2-chlorophenyl)-3-methylidene-2,4-dihydro-1H-quinoline
CID 11266252
(3R)-3-(2-chlorophenyl)-4-[(1-methylimidazol-2-yl)methyl]piperazin-2-one
CID 124616795
3-[2-(2-chlorophenyl)-3-oxopiperazin-1-yl]-2-methyl-3-oxopropanoic acid
CID 122066378
6-chloro-4-propan-2-yl-1,2,3,4-tetrahydroquinoline
CID 105463734
(2R,5R)-7-chloro-5-(2-chlorophenyl)-1,2,3,5-tetrahydro-4,1-benzothiazepin-2-ol
CID 124638423
4-butanoyl-3-(2-chlorophenyl)piperazin-2-one
CID 110657325
2-[(1R)-1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethanol
CID 122367996
1-(6-chloro-1,2,3,4-tetrahydroquinolin-4-yl)-N-methylmethanamine
CID 105464651
2-[2-(2-chlorophenyl)-3-oxopiperazin-1-yl]-N-prop-2-enylacetamide
CID 75503443
4-(2-hydroxyethyl)-3-thiophen-2-ylpiperazin-2-one
CID 3070021

Frequently Asked Questions

What is the IUPAC name of 2-[7-chloro-5-(2-chlorophenyl)-1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl]ethanol;ethane?
The IUPAC name of 2-[7-chloro-5-(2-chlorophenyl)-1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl]ethanol;ethane (CID 142893166) is 2-[7-chloro-5-(2-chlorophenyl)-1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl]ethanol;ethane.
What is the SMILES notation for 2-[7-chloro-5-(2-chlorophenyl)-1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl]ethanol;ethane?
The canonical SMILES for 2-[7-chloro-5-(2-chlorophenyl)-1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl]ethanol;ethane is CC.OCCN1CCNc2ccc(Cl)cc2C1c1ccccc1Cl.
What is the InChIKey of 2-[7-chloro-5-(2-chlorophenyl)-1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl]ethanol;ethane?
The InChIKey is TYZSETOUCWFCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O.C2H6/c18-12-5-6-16-14(11-12)17(13-3-1-2-4-15(13)19)21(9-10-22)8-7-20-16;1-2/h1-6,11,17,20,22H,7-10H2;1-2H3.
What are the key properties of 2-[7-chloro-5-(2-chlorophenyl)-1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl]ethanol;ethane?
2-[7-chloro-5-(2-chlorophenyl)-1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl]ethanol;ethane has a molecular weight of 367.32 g/mol, XLogP of 4.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-chloro-5-(2-chlorophenyl)-1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl]ethanol;ethane is sourced from PubChem (CID 142893166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).