(4R)-4-(4-methylsulfanylphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

C13H15N3S — CID 95127660

IUPAC(4R)-4-(4-methylsulfanylphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
SMILESCSc1ccc([C@H]2NCCc3[nH]cnc32)cc1
InChIInChI=1S/C13H15N3S/c1-17-10-4-2-9(3-5-10)12-13-11(6-7-14-12)15-8-16-13/h2-5,8,12,14H,6-7H2,1H3,(H,15,16)/t12-/m1/s1
InChIKeyRESAIBSTDQGJII-GFCCVEGCSA-N
MW245.35 g/mol
LogP2.37
Rot. Bonds2

About (4R)-4-(4-methylsulfanylphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

(4R)-4-(4-methylsulfanylphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine (PubChem CID 95127660) has the molecular formula C13H15N3S and a molecular weight of 245.35 g/mol. Its IUPAC name is (4R)-4-(4-methylsulfanylphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name(4R)-4-(4-methylsulfanylphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
PubChem CID95127660
Molecular FormulaC13H15N3S
Molecular Weight245.35 g/mol
Exact Mass245.10
IUPAC Name(4R)-4-(4-methylsulfanylphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
SMILESCSc1ccc([C@H]2NCCc3[nH]cnc32)cc1
InChIInChI=1S/C13H15N3S/c1-17-10-4-2-9(3-5-10)12-13-11(6-7-14-12)15-8-16-13/h2-5,8,12,14H,6-7H2,1H3,(H,15,16)/t12-/m1/s1
InChIKeyRESAIBSTDQGJII-GFCCVEGCSA-N
XLogP2.37
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(4-methylsulfanylphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine?
The IUPAC name of (4R)-4-(4-methylsulfanylphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine (CID 95127660) is (4R)-4-(4-methylsulfanylphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine.
What is the SMILES notation for (4R)-4-(4-methylsulfanylphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine?
The canonical SMILES for (4R)-4-(4-methylsulfanylphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine is CSc1ccc([C@H]2NCCc3[nH]cnc32)cc1.
What is the InChIKey of (4R)-4-(4-methylsulfanylphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine?
The InChIKey is RESAIBSTDQGJII-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H15N3S/c1-17-10-4-2-9(3-5-10)12-13-11(6-7-14-12)15-8-16-13/h2-5,8,12,14H,6-7H2,1H3,(H,15,16)/t12-/m1/s1.
What are the key properties of (4R)-4-(4-methylsulfanylphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine?
(4R)-4-(4-methylsulfanylphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine has a molecular weight of 245.35 g/mol, XLogP of 2.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(4-methylsulfanylphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 95127660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).