1-cyclopentyl-4-[5-methyl-4-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]pyrrolidin-2-one

C18H23N3OS — CID 45218579

IUPAC1-cyclopentyl-4-[5-methyl-4-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]pyrrolidin-2-one
SMILESCc1ccc(-c2nc(C3CC(=O)N(C4CCCC4)C3)[nH]c2C)s1
InChIInChI=1S/C18H23N3OS/c1-11-7-8-15(23-11)17-12(2)19-18(20-17)13-9-16(22)21(10-13)14-5-3-4-6-14/h7-8,13-14H,3-6,9-10H2,1-2H3,(H,19,20)
InChIKeyONGJZWLQWPAXTQ-UHFFFAOYSA-N
MW329.47 g/mol
LogP4.01
Rot. Bonds3

About 1-cyclopentyl-4-[5-methyl-4-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]pyrrolidin-2-one

1-cyclopentyl-4-[5-methyl-4-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]pyrrolidin-2-one (PubChem CID 45218579) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is 1-cyclopentyl-4-[5-methyl-4-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-cyclopentyl-4-[5-methyl-4-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]pyrrolidin-2-one
PubChem CID45218579
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC Name1-cyclopentyl-4-[5-methyl-4-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]pyrrolidin-2-one
SMILESCc1ccc(-c2nc(C3CC(=O)N(C4CCCC4)C3)[nH]c2C)s1
InChIInChI=1S/C18H23N3OS/c1-11-7-8-15(23-11)17-12(2)19-18(20-17)13-9-16(22)21(10-13)14-5-3-4-6-14/h7-8,13-14H,3-6,9-10H2,1-2H3,(H,19,20)
InChIKeyONGJZWLQWPAXTQ-UHFFFAOYSA-N
XLogP4.01
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-[5-methyl-4-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-cyclopentyl-4-[5-methyl-4-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]pyrrolidin-2-one (CID 45218579) is 1-cyclopentyl-4-[5-methyl-4-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-cyclopentyl-4-[5-methyl-4-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-cyclopentyl-4-[5-methyl-4-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]pyrrolidin-2-one is Cc1ccc(-c2nc(C3CC(=O)N(C4CCCC4)C3)[nH]c2C)s1.
What is the InChIKey of 1-cyclopentyl-4-[5-methyl-4-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]pyrrolidin-2-one?
The InChIKey is ONGJZWLQWPAXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-11-7-8-15(23-11)17-12(2)19-18(20-17)13-9-16(22)21(10-13)14-5-3-4-6-14/h7-8,13-14H,3-6,9-10H2,1-2H3,(H,19,20).
What are the key properties of 1-cyclopentyl-4-[5-methyl-4-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]pyrrolidin-2-one?
1-cyclopentyl-4-[5-methyl-4-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]pyrrolidin-2-one has a molecular weight of 329.47 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-[5-methyl-4-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 45218579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).