5-butyl-1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-4-thiophen-3-ylpyrrole-3-carboxamide

C19H24N4OS — CID 3863769

IUPAC5-butyl-1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-4-thiophen-3-ylpyrrole-3-carboxamide
SMILESCCCCc1c(-c2ccsc2)c(C(N)=O)c(C)n1CCc1cnc[nH]1
InChIInChI=1S/C19H24N4OS/c1-3-4-5-16-18(14-7-9-25-11-14)17(19(20)24)13(2)23(16)8-6-15-10-21-12-22-15/h7,9-12H,3-6,8H2,1-2H3,(H2,20,24)(H,21,22)
InChIKeyNXNMBOTZZYJGOY-UHFFFAOYSA-N
MW356.50 g/mol
LogP3.93
Rot. Bonds8

About 5-butyl-1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-4-thiophen-3-ylpyrrole-3-carboxamide

5-butyl-1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-4-thiophen-3-ylpyrrole-3-carboxamide (PubChem CID 3863769) has the molecular formula C19H24N4OS and a molecular weight of 356.50 g/mol. Its IUPAC name is 5-butyl-1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-4-thiophen-3-ylpyrrole-3-carboxamide.

Molecular Properties

Compound Name5-butyl-1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-4-thiophen-3-ylpyrrole-3-carboxamide
PubChem CID3863769
Molecular FormulaC19H24N4OS
Molecular Weight356.50 g/mol
Exact Mass356.17
IUPAC Name5-butyl-1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-4-thiophen-3-ylpyrrole-3-carboxamide
SMILESCCCCc1c(-c2ccsc2)c(C(N)=O)c(C)n1CCc1cnc[nH]1
InChIInChI=1S/C19H24N4OS/c1-3-4-5-16-18(14-7-9-25-11-14)17(19(20)24)13(2)23(16)8-6-15-10-21-12-22-15/h7,9-12H,3-6,8H2,1-2H3,(H2,20,24)(H,21,22)
InChIKeyNXNMBOTZZYJGOY-UHFFFAOYSA-N
XLogP3.93
TPSA76.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-4-thiophen-3-ylpyrrole-3-carboxamide?
The IUPAC name of 5-butyl-1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-4-thiophen-3-ylpyrrole-3-carboxamide (CID 3863769) is 5-butyl-1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-4-thiophen-3-ylpyrrole-3-carboxamide.
What is the SMILES notation for 5-butyl-1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-4-thiophen-3-ylpyrrole-3-carboxamide?
The canonical SMILES for 5-butyl-1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-4-thiophen-3-ylpyrrole-3-carboxamide is CCCCc1c(-c2ccsc2)c(C(N)=O)c(C)n1CCc1cnc[nH]1.
What is the InChIKey of 5-butyl-1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-4-thiophen-3-ylpyrrole-3-carboxamide?
The InChIKey is NXNMBOTZZYJGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4OS/c1-3-4-5-16-18(14-7-9-25-11-14)17(19(20)24)13(2)23(16)8-6-15-10-21-12-22-15/h7,9-12H,3-6,8H2,1-2H3,(H2,20,24)(H,21,22).
What are the key properties of 5-butyl-1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-4-thiophen-3-ylpyrrole-3-carboxamide?
5-butyl-1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-4-thiophen-3-ylpyrrole-3-carboxamide has a molecular weight of 356.50 g/mol, XLogP of 3.93, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-4-thiophen-3-ylpyrrole-3-carboxamide is sourced from PubChem (CID 3863769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).