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

C18H22N4OS — CID 3737135

IUPAC1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-5-propyl-4-thiophen-3-ylpyrrole-3-carboxamide
SMILESCCCc1c(-c2ccsc2)c(C(N)=O)c(C)n1CCc1cnc[nH]1
InChIInChI=1S/C18H22N4OS/c1-3-4-15-17(13-6-8-24-10-13)16(18(19)23)12(2)22(15)7-5-14-9-20-11-21-14/h6,8-11H,3-5,7H2,1-2H3,(H2,19,23)(H,20,21)
InChIKeyKSAWSJVZRBURTJ-UHFFFAOYSA-N
MW342.47 g/mol
LogP3.54
Rot. Bonds7

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

1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-5-propyl-4-thiophen-3-ylpyrrole-3-carboxamide (PubChem CID 3737135) has the molecular formula C18H22N4OS and a molecular weight of 342.47 g/mol. Its IUPAC name is 1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-5-propyl-4-thiophen-3-ylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-5-propyl-4-thiophen-3-ylpyrrole-3-carboxamide
PubChem CID3737135
Molecular FormulaC18H22N4OS
Molecular Weight342.47 g/mol
Exact Mass342.15
IUPAC Name1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-5-propyl-4-thiophen-3-ylpyrrole-3-carboxamide
SMILESCCCc1c(-c2ccsc2)c(C(N)=O)c(C)n1CCc1cnc[nH]1
InChIInChI=1S/C18H22N4OS/c1-3-4-15-17(13-6-8-24-10-13)16(18(19)23)12(2)22(15)7-5-14-9-20-11-21-14/h6,8-11H,3-5,7H2,1-2H3,(H2,19,23)(H,20,21)
InChIKeyKSAWSJVZRBURTJ-UHFFFAOYSA-N
XLogP3.54
TPSA76.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-5-propyl-4-thiophen-3-ylpyrrole-3-carboxamide?
The IUPAC name of 1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-5-propyl-4-thiophen-3-ylpyrrole-3-carboxamide (CID 3737135) is 1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-5-propyl-4-thiophen-3-ylpyrrole-3-carboxamide.
What is the SMILES notation for 1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-5-propyl-4-thiophen-3-ylpyrrole-3-carboxamide?
The canonical SMILES for 1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-5-propyl-4-thiophen-3-ylpyrrole-3-carboxamide is CCCc1c(-c2ccsc2)c(C(N)=O)c(C)n1CCc1cnc[nH]1.
What is the InChIKey of 1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-5-propyl-4-thiophen-3-ylpyrrole-3-carboxamide?
The InChIKey is KSAWSJVZRBURTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4OS/c1-3-4-15-17(13-6-8-24-10-13)16(18(19)23)12(2)22(15)7-5-14-9-20-11-21-14/h6,8-11H,3-5,7H2,1-2H3,(H2,19,23)(H,20,21).
What are the key properties of 1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-5-propyl-4-thiophen-3-ylpyrrole-3-carboxamide?
1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-5-propyl-4-thiophen-3-ylpyrrole-3-carboxamide has a molecular weight of 342.47 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-5-propyl-4-thiophen-3-ylpyrrole-3-carboxamide is sourced from PubChem (CID 3737135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).