5-methylsulfanyl-7-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2,3-dihydroimidazo[1,2-c]pyrimidine-8-carbonitrile;hydrochloride

C18H20ClN5S — CID 22003934

IUPAC5-methylsulfanyl-7-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2,3-dihydroimidazo[1,2-c]pyrimidine-8-carbonitrile;hydrochloride
SMILESCSC1=NC(N2CCc3ccccc3CC2)=C(C#N)C2=NCCN12.Cl
InChIInChI=1S/C18H19N5S.ClH/c1-24-18-21-17(15(12-19)16-20-8-11-23(16)18)22-9-6-13-4-2-3-5-14(13)7-10-22;/h2-5H,6-11H2,1H3;1H
InChIKeyVDGFOUYAVFLSRU-UHFFFAOYSA-N
MW373.91 g/mol
LogP2.69
Rot. Bonds1

About 5-methylsulfanyl-7-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2,3-dihydroimidazo[1,2-c]pyrimidine-8-carbonitrile;hydrochloride

5-methylsulfanyl-7-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2,3-dihydroimidazo[1,2-c]pyrimidine-8-carbonitrile;hydrochloride (PubChem CID 22003934) has the molecular formula C18H20ClN5S and a molecular weight of 373.91 g/mol. Its IUPAC name is 5-methylsulfanyl-7-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2,3-dihydroimidazo[1,2-c]pyrimidine-8-carbonitrile;hydrochloride.

Molecular Properties

Compound Name5-methylsulfanyl-7-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2,3-dihydroimidazo[1,2-c]pyrimidine-8-carbonitrile;hydrochloride
PubChem CID22003934
Molecular FormulaC18H20ClN5S
Molecular Weight373.91 g/mol
Exact Mass373.11
IUPAC Name5-methylsulfanyl-7-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2,3-dihydroimidazo[1,2-c]pyrimidine-8-carbonitrile;hydrochloride
SMILESCSC1=NC(N2CCc3ccccc3CC2)=C(C#N)C2=NCCN12.Cl
InChIInChI=1S/C18H19N5S.ClH/c1-24-18-21-17(15(12-19)16-20-8-11-23(16)18)22-9-6-13-4-2-3-5-14(13)7-10-22;/h2-5H,6-11H2,1H3;1H
InChIKeyVDGFOUYAVFLSRU-UHFFFAOYSA-N
XLogP2.69
TPSA54.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.91
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-methylsulfanyl-7-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2,3-dihydroimidazo[1,2-c]pyrimidine-8-carbonitrile;hydrochloride with MolForge

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Related Compounds

3-methylsulfanyl-5-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1,2,4-triazine-6-carbonitrile
CID 18506776
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6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methylpyridine-3-carbonitrile
CID 102545053
2-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-6-methylsulfanylbenzonitrile
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CID 102815043
4-ethyl-1,2-dihydroimidazo[1,2-a]benzimidazole;hydrochloride
CID 13077473
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CID 103420028
2-(1-methyl-4,5-dihydroimidazol-2-yl)benzonitrile
CID 117280247
5-(2,3-dihydroindol-1-yl)-1,3-dimethylpyrazole-4-carbonitrile
CID 63751129
2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carbonitrile
CID 17221175
2,4,7,10-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,10,12,14-hexaene-5-carbonitrile
CID 19902182
2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-fluoroaniline
CID 62375892

Frequently Asked Questions

What is the IUPAC name of 5-methylsulfanyl-7-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2,3-dihydroimidazo[1,2-c]pyrimidine-8-carbonitrile;hydrochloride?
The IUPAC name of 5-methylsulfanyl-7-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2,3-dihydroimidazo[1,2-c]pyrimidine-8-carbonitrile;hydrochloride (CID 22003934) is 5-methylsulfanyl-7-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2,3-dihydroimidazo[1,2-c]pyrimidine-8-carbonitrile;hydrochloride.
What is the SMILES notation for 5-methylsulfanyl-7-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2,3-dihydroimidazo[1,2-c]pyrimidine-8-carbonitrile;hydrochloride?
The canonical SMILES for 5-methylsulfanyl-7-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2,3-dihydroimidazo[1,2-c]pyrimidine-8-carbonitrile;hydrochloride is CSC1=NC(N2CCc3ccccc3CC2)=C(C#N)C2=NCCN12.Cl.
What is the InChIKey of 5-methylsulfanyl-7-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2,3-dihydroimidazo[1,2-c]pyrimidine-8-carbonitrile;hydrochloride?
The InChIKey is VDGFOUYAVFLSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5S.ClH/c1-24-18-21-17(15(12-19)16-20-8-11-23(16)18)22-9-6-13-4-2-3-5-14(13)7-10-22;/h2-5H,6-11H2,1H3;1H.
What are the key properties of 5-methylsulfanyl-7-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2,3-dihydroimidazo[1,2-c]pyrimidine-8-carbonitrile;hydrochloride?
5-methylsulfanyl-7-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2,3-dihydroimidazo[1,2-c]pyrimidine-8-carbonitrile;hydrochloride has a molecular weight of 373.91 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanyl-7-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2,3-dihydroimidazo[1,2-c]pyrimidine-8-carbonitrile;hydrochloride is sourced from PubChem (CID 22003934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).