2-benzyl-7-(4-methylimidazol-1-yl)-5,10-dihydro-4H-[1,3]thiazolo[4,5-b][1]benzazepine

C22H20N4S — CID 127028395

IUPAC2-benzyl-7-(4-methylimidazol-1-yl)-5,10-dihydro-4H-[1,3]thiazolo[4,5-b][1]benzazepine
SMILESCc1cn(-c2ccc3c(c2)CCc2sc(Cc4ccccc4)nc2N3)cn1
InChIInChI=1S/C22H20N4S/c1-15-13-26(14-23-15)18-8-9-19-17(12-18)7-10-20-22(24-19)25-21(27-20)11-16-5-3-2-4-6-16/h2-6,8-9,12-14,24H,7,10-11H2,1H3
InChIKeyZHNDWSFRNPTACV-UHFFFAOYSA-N
MW372.50 g/mol
LogP5.07
Rot. Bonds3

About 2-benzyl-7-(4-methylimidazol-1-yl)-5,10-dihydro-4H-[1,3]thiazolo[4,5-b][1]benzazepine

2-benzyl-7-(4-methylimidazol-1-yl)-5,10-dihydro-4H-[1,3]thiazolo[4,5-b][1]benzazepine (PubChem CID 127028395) has the molecular formula C22H20N4S and a molecular weight of 372.50 g/mol. Its IUPAC name is 2-benzyl-7-(4-methylimidazol-1-yl)-5,10-dihydro-4H-[1,3]thiazolo[4,5-b][1]benzazepine.

Molecular Properties

Compound Name2-benzyl-7-(4-methylimidazol-1-yl)-5,10-dihydro-4H-[1,3]thiazolo[4,5-b][1]benzazepine
PubChem CID127028395
Molecular FormulaC22H20N4S
Molecular Weight372.50 g/mol
Exact Mass372.14
IUPAC Name2-benzyl-7-(4-methylimidazol-1-yl)-5,10-dihydro-4H-[1,3]thiazolo[4,5-b][1]benzazepine
SMILESCc1cn(-c2ccc3c(c2)CCc2sc(Cc4ccccc4)nc2N3)cn1
InChIInChI=1S/C22H20N4S/c1-15-13-26(14-23-15)18-8-9-19-17(12-18)7-10-20-22(24-19)25-21(27-20)11-16-5-3-2-4-6-16/h2-6,8-9,12-14,24H,7,10-11H2,1H3
InChIKeyZHNDWSFRNPTACV-UHFFFAOYSA-N
XLogP5.07
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.50
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-benzyl-7-(4-methylimidazol-1-yl)-5,10-dihydro-4H-[1,3]thiazolo[4,5-b][1]benzazepine with MolForge

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Related Compounds

[4-(4-Methyl-imidazol-1-yl)-phenyl]-(4-phenyl-4,5,6,7-tetrahydro-benzothiazol-2-yl)-amine
CID 44195184
2-(4-Methyl-imidazol-1-yl)-5-(4-phenyl-4,5,6,7-tetrahydro-benzothiazol-2-ylamino)-benzonitrile
CID 44195186
[3-Fluoro-4-(4-methyl-imidazol-1-yl)-phenyl]-(4-phenyl-4,5,6,7-tetrahydro-benzothiazol-2-yl)-amine
CID 57392070
N-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]-4-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
CID 57402550
1-N,1-N-diethyl-4-methyl-3-N-[4-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-yl]benzene-1,3-diamine
CID 58910631
4-N,4-N-diethyl-1-N-[4-(4-imidazol-1-ylphenyl)-1,3-thiazol-2-yl]-2-methylbenzene-1,4-diamine
CID 58910757
1-N-[4-[4-(4-bromoimidazol-1-yl)phenyl]-1,3-thiazol-2-yl]-4-N,4-N-diethyl-2-methylbenzene-1,4-diamine
CID 58910937
4-N,4-N-diethyl-2-methyl-1-N-[4-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-yl]benzene-1,4-diamine
CID 58910950
4-N,4-N-diethyl-2-methyl-1-N-[4-[6-(4-methylimidazol-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]benzene-1,4-diamine
CID 58911028
N-(4-imidazol-1-ylphenyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine
CID 118736906
2-benzyl-7-(4-chloroimidazol-1-yl)-5,10-dihydro-4H-[1,3]thiazolo[4,5-b][1]benzazepine
CID 127025655
N-(2-methylphenyl)-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-amine
CID 7066862

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-7-(4-methylimidazol-1-yl)-5,10-dihydro-4H-[1,3]thiazolo[4,5-b][1]benzazepine?
The IUPAC name of 2-benzyl-7-(4-methylimidazol-1-yl)-5,10-dihydro-4H-[1,3]thiazolo[4,5-b][1]benzazepine (CID 127028395) is 2-benzyl-7-(4-methylimidazol-1-yl)-5,10-dihydro-4H-[1,3]thiazolo[4,5-b][1]benzazepine.
What is the SMILES notation for 2-benzyl-7-(4-methylimidazol-1-yl)-5,10-dihydro-4H-[1,3]thiazolo[4,5-b][1]benzazepine?
The canonical SMILES for 2-benzyl-7-(4-methylimidazol-1-yl)-5,10-dihydro-4H-[1,3]thiazolo[4,5-b][1]benzazepine is Cc1cn(-c2ccc3c(c2)CCc2sc(Cc4ccccc4)nc2N3)cn1.
What is the InChIKey of 2-benzyl-7-(4-methylimidazol-1-yl)-5,10-dihydro-4H-[1,3]thiazolo[4,5-b][1]benzazepine?
The InChIKey is ZHNDWSFRNPTACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4S/c1-15-13-26(14-23-15)18-8-9-19-17(12-18)7-10-20-22(24-19)25-21(27-20)11-16-5-3-2-4-6-16/h2-6,8-9,12-14,24H,7,10-11H2,1H3.
What are the key properties of 2-benzyl-7-(4-methylimidazol-1-yl)-5,10-dihydro-4H-[1,3]thiazolo[4,5-b][1]benzazepine?
2-benzyl-7-(4-methylimidazol-1-yl)-5,10-dihydro-4H-[1,3]thiazolo[4,5-b][1]benzazepine has a molecular weight of 372.50 g/mol, XLogP of 5.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-7-(4-methylimidazol-1-yl)-5,10-dihydro-4H-[1,3]thiazolo[4,5-b][1]benzazepine is sourced from PubChem (CID 127028395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).