2-[5-(4-chlorophenyl)sulfanyl-1-methyl-4-[4-(2-methyltetrazol-5-yl)phenyl]imidazol-2-yl]pyridine

C23H18ClN7S — CID 44553732

IUPAC2-[5-(4-chlorophenyl)sulfanyl-1-methyl-4-[4-(2-methyltetrazol-5-yl)phenyl]imidazol-2-yl]pyridine
SMILESCn1nnc(-c2ccc(-c3nc(-c4ccccn4)n(C)c3Sc3ccc(Cl)cc3)cc2)n1
InChIInChI=1S/C23H18ClN7S/c1-30-22(19-5-3-4-14-25-19)26-20(23(30)32-18-12-10-17(24)11-13-18)15-6-8-16(9-7-15)21-27-29-31(2)28-21/h3-14H,1-2H3
InChIKeyHGLVXMINCYTUFM-UHFFFAOYSA-N
MW459.97 g/mol
LogP5.14
Rot. Bonds5

About 2-[5-(4-chlorophenyl)sulfanyl-1-methyl-4-[4-(2-methyltetrazol-5-yl)phenyl]imidazol-2-yl]pyridine

2-[5-(4-chlorophenyl)sulfanyl-1-methyl-4-[4-(2-methyltetrazol-5-yl)phenyl]imidazol-2-yl]pyridine (PubChem CID 44553732) has the molecular formula C23H18ClN7S and a molecular weight of 459.97 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)sulfanyl-1-methyl-4-[4-(2-methyltetrazol-5-yl)phenyl]imidazol-2-yl]pyridine.

Molecular Properties

Compound Name2-[5-(4-chlorophenyl)sulfanyl-1-methyl-4-[4-(2-methyltetrazol-5-yl)phenyl]imidazol-2-yl]pyridine
PubChem CID44553732
Molecular FormulaC23H18ClN7S
Molecular Weight459.97 g/mol
Exact Mass459.10
IUPAC Name2-[5-(4-chlorophenyl)sulfanyl-1-methyl-4-[4-(2-methyltetrazol-5-yl)phenyl]imidazol-2-yl]pyridine
SMILESCn1nnc(-c2ccc(-c3nc(-c4ccccn4)n(C)c3Sc3ccc(Cl)cc3)cc2)n1
InChIInChI=1S/C23H18ClN7S/c1-30-22(19-5-3-4-14-25-19)26-20(23(30)32-18-12-10-17(24)11-13-18)15-6-8-16(9-7-15)21-27-29-31(2)28-21/h3-14H,1-2H3
InChIKeyHGLVXMINCYTUFM-UHFFFAOYSA-N
XLogP5.14
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.97
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenyl)sulfanyl-1-methyl-4-[4-(2-methyltetrazol-5-yl)phenyl]imidazol-2-yl]pyridine?
The IUPAC name of 2-[5-(4-chlorophenyl)sulfanyl-1-methyl-4-[4-(2-methyltetrazol-5-yl)phenyl]imidazol-2-yl]pyridine (CID 44553732) is 2-[5-(4-chlorophenyl)sulfanyl-1-methyl-4-[4-(2-methyltetrazol-5-yl)phenyl]imidazol-2-yl]pyridine.
What is the SMILES notation for 2-[5-(4-chlorophenyl)sulfanyl-1-methyl-4-[4-(2-methyltetrazol-5-yl)phenyl]imidazol-2-yl]pyridine?
The canonical SMILES for 2-[5-(4-chlorophenyl)sulfanyl-1-methyl-4-[4-(2-methyltetrazol-5-yl)phenyl]imidazol-2-yl]pyridine is Cn1nnc(-c2ccc(-c3nc(-c4ccccn4)n(C)c3Sc3ccc(Cl)cc3)cc2)n1.
What is the InChIKey of 2-[5-(4-chlorophenyl)sulfanyl-1-methyl-4-[4-(2-methyltetrazol-5-yl)phenyl]imidazol-2-yl]pyridine?
The InChIKey is HGLVXMINCYTUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN7S/c1-30-22(19-5-3-4-14-25-19)26-20(23(30)32-18-12-10-17(24)11-13-18)15-6-8-16(9-7-15)21-27-29-31(2)28-21/h3-14H,1-2H3.
What are the key properties of 2-[5-(4-chlorophenyl)sulfanyl-1-methyl-4-[4-(2-methyltetrazol-5-yl)phenyl]imidazol-2-yl]pyridine?
2-[5-(4-chlorophenyl)sulfanyl-1-methyl-4-[4-(2-methyltetrazol-5-yl)phenyl]imidazol-2-yl]pyridine has a molecular weight of 459.97 g/mol, XLogP of 5.14, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chlorophenyl)sulfanyl-1-methyl-4-[4-(2-methyltetrazol-5-yl)phenyl]imidazol-2-yl]pyridine is sourced from PubChem (CID 44553732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).