5-(2-methylphenyl)sulfonyl-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine

C16H21N3O2S — CID 110872831

IUPAC5-(2-methylphenyl)sulfonyl-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCc1ccccc1S(=O)(=O)N1CCc2ncn(C(C)C)c2C1
InChIInChI=1S/C16H21N3O2S/c1-12(2)19-11-17-14-8-9-18(10-15(14)19)22(20,21)16-7-5-4-6-13(16)3/h4-7,11-12H,8-10H2,1-3H3
InChIKeyLIJDIXPEMSUVAO-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.52
Rot. Bonds3

About 5-(2-methylphenyl)sulfonyl-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine

5-(2-methylphenyl)sulfonyl-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine (PubChem CID 110872831) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is 5-(2-methylphenyl)sulfonyl-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name5-(2-methylphenyl)sulfonyl-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
PubChem CID110872831
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name5-(2-methylphenyl)sulfonyl-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCc1ccccc1S(=O)(=O)N1CCc2ncn(C(C)C)c2C1
InChIInChI=1S/C16H21N3O2S/c1-12(2)19-11-17-14-8-9-18(10-15(14)19)22(20,21)16-7-5-4-6-13(16)3/h4-7,11-12H,8-10H2,1-3H3
InChIKeyLIJDIXPEMSUVAO-UHFFFAOYSA-N
XLogP2.52
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-chlorophenyl)sulfonyl-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 110872833
5-(4-methoxy-2-methylphenyl)sulfonyl-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 110872816
5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 110872829
5-(2-chlorophenyl)sulfonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 110872730
1-(2-methylphenyl)sulfonylaziridine
CID 22214975
5-(benzenesulfonyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 110872676
5-(4-methoxy-2-methylphenyl)sulfonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 110872691
1,3,5-tris[(2-methylphenyl)sulfonyl]-1,3,5-triazinane
CID 562883
4-(2,5-dimethylphenyl)sulfonyl-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene
CID 110872577
6-(5-bromo-2-methylphenyl)sulfonyl-7,8-dihydro-5H-1,6-naphthyridine
CID 61215839
5-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 110872718
3-methyl-5-(2,4,6-trimethylphenyl)sulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 110872686

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylphenyl)sulfonyl-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The IUPAC name of 5-(2-methylphenyl)sulfonyl-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine (CID 110872831) is 5-(2-methylphenyl)sulfonyl-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 5-(2-methylphenyl)sulfonyl-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The canonical SMILES for 5-(2-methylphenyl)sulfonyl-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine is Cc1ccccc1S(=O)(=O)N1CCc2ncn(C(C)C)c2C1.
What is the InChIKey of 5-(2-methylphenyl)sulfonyl-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The InChIKey is LIJDIXPEMSUVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-12(2)19-11-17-14-8-9-18(10-15(14)19)22(20,21)16-7-5-4-6-13(16)3/h4-7,11-12H,8-10H2,1-3H3.
What are the key properties of 5-(2-methylphenyl)sulfonyl-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
5-(2-methylphenyl)sulfonyl-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine has a molecular weight of 319.43 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylphenyl)sulfonyl-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 110872831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).