2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(5-chloro-2-pyridinyl)acetamide

C18H17ClN4OS — CID 6472561

IUPAC2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(5-chloro-2-pyridinyl)acetamide
SMILESCc1[nH]c(SCC(=O)Nc2ccc(Cl)cn2)nc1Cc1ccccc1
InChIInChI=1S/C18H17ClN4OS/c1-12-15(9-13-5-3-2-4-6-13)22-18(21-12)25-11-17(24)23-16-8-7-14(19)10-20-16/h2-8,10H,9,11H2,1H3,(H,21,22)(H,20,23,24)
InChIKeyMFRAYLXQHIYENO-UHFFFAOYSA-N
MW372.88 g/mol
LogP4.09
Rot. Bonds6

About 2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(5-chloro-2-pyridinyl)acetamide

2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(5-chloro-2-pyridinyl)acetamide (PubChem CID 6472561) has the molecular formula C18H17ClN4OS and a molecular weight of 372.88 g/mol. Its IUPAC name is 2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(5-chloro-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(5-chloro-2-pyridinyl)acetamide
PubChem CID6472561
Molecular FormulaC18H17ClN4OS
Molecular Weight372.88 g/mol
Exact Mass372.08
IUPAC Name2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(5-chloro-2-pyridinyl)acetamide
SMILESCc1[nH]c(SCC(=O)Nc2ccc(Cl)cn2)nc1Cc1ccccc1
InChIInChI=1S/C18H17ClN4OS/c1-12-15(9-13-5-3-2-4-6-13)22-18(21-12)25-11-17(24)23-16-8-7-14(19)10-20-16/h2-8,10H,9,11H2,1H3,(H,21,22)(H,20,23,24)
InChIKeyMFRAYLXQHIYENO-UHFFFAOYSA-N
XLogP4.09
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.88
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(5-chloro-2-pyridinyl)acetamide?
The IUPAC name of 2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(5-chloro-2-pyridinyl)acetamide (CID 6472561) is 2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(5-chloro-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(5-chloro-2-pyridinyl)acetamide?
The canonical SMILES for 2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(5-chloro-2-pyridinyl)acetamide is Cc1[nH]c(SCC(=O)Nc2ccc(Cl)cn2)nc1Cc1ccccc1.
What is the InChIKey of 2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(5-chloro-2-pyridinyl)acetamide?
The InChIKey is MFRAYLXQHIYENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4OS/c1-12-15(9-13-5-3-2-4-6-13)22-18(21-12)25-11-17(24)23-16-8-7-14(19)10-20-16/h2-8,10H,9,11H2,1H3,(H,21,22)(H,20,23,24).
What are the key properties of 2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(5-chloro-2-pyridinyl)acetamide?
2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(5-chloro-2-pyridinyl)acetamide has a molecular weight of 372.88 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(5-chloro-2-pyridinyl)acetamide is sourced from PubChem (CID 6472561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).