1-ethyl-N-[2-(1H-imidazol-5-yl)ethyl]pyrrole-2-carboxamide

C12H16N4O — CID 65231356

IUPAC1-ethyl-N-[2-(1H-imidazol-5-yl)ethyl]pyrrole-2-carboxamide
SMILESCCn1cccc1C(=O)NCCc1cnc[nH]1
InChIInChI=1S/C12H16N4O/c1-2-16-7-3-4-11(16)12(17)14-6-5-10-8-13-9-15-10/h3-4,7-9H,2,5-6H2,1H3,(H,13,15)(H,14,17)
InChIKeySJPLRYAPRURHLR-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.20
Rot. Bonds5

About 1-ethyl-N-[2-(1H-imidazol-5-yl)ethyl]pyrrole-2-carboxamide

1-ethyl-N-[2-(1H-imidazol-5-yl)ethyl]pyrrole-2-carboxamide (PubChem CID 65231356) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 1-ethyl-N-[2-(1H-imidazol-5-yl)ethyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[2-(1H-imidazol-5-yl)ethyl]pyrrole-2-carboxamide
PubChem CID65231356
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name1-ethyl-N-[2-(1H-imidazol-5-yl)ethyl]pyrrole-2-carboxamide
SMILESCCn1cccc1C(=O)NCCc1cnc[nH]1
InChIInChI=1S/C12H16N4O/c1-2-16-7-3-4-11(16)12(17)14-6-5-10-8-13-9-15-10/h3-4,7-9H,2,5-6H2,1H3,(H,13,15)(H,14,17)
InChIKeySJPLRYAPRURHLR-UHFFFAOYSA-N
XLogP1.20
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1H-imidazol-5-yl)ethyl]-1-(2-methoxyethyl)pyrrole-2-carboxamide
CID 114609933
N-[2-(1H-imidazol-5-yl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 65231406
(2S)-N-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide
CID 164630474
N-[2-(1H-imidazol-5-yl)ethyl]-2-methylprop-2-enamide
CID 54544800
1-ethyl-3-[2-(1H-imidazol-5-yl)ethyl]urea
CID 65231782
1-ethyl-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 141085829
N-[2-(1H-imidazol-5-yl)ethyl]-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide
CID 172664011
5-(ethylamino)-N-[2-(1H-imidazol-5-yl)ethyl]pyrazine-2-carboxamide
CID 107375934
2-(1H-imidazol-5-yl)ethylurea
CID 10582986
4-(hydroxymethyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzamide
CID 65231177
N-[2-(1H-imidazol-5-yl)ethyl]-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 65231546
N-[2-(1H-imidazol-5-yl)ethyl]-2-pyridin-4-ylacetamide
CID 65232429

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[2-(1H-imidazol-5-yl)ethyl]pyrrole-2-carboxamide?
The IUPAC name of 1-ethyl-N-[2-(1H-imidazol-5-yl)ethyl]pyrrole-2-carboxamide (CID 65231356) is 1-ethyl-N-[2-(1H-imidazol-5-yl)ethyl]pyrrole-2-carboxamide.
What is the SMILES notation for 1-ethyl-N-[2-(1H-imidazol-5-yl)ethyl]pyrrole-2-carboxamide?
The canonical SMILES for 1-ethyl-N-[2-(1H-imidazol-5-yl)ethyl]pyrrole-2-carboxamide is CCn1cccc1C(=O)NCCc1cnc[nH]1.
What is the InChIKey of 1-ethyl-N-[2-(1H-imidazol-5-yl)ethyl]pyrrole-2-carboxamide?
The InChIKey is SJPLRYAPRURHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-2-16-7-3-4-11(16)12(17)14-6-5-10-8-13-9-15-10/h3-4,7-9H,2,5-6H2,1H3,(H,13,15)(H,14,17).
What are the key properties of 1-ethyl-N-[2-(1H-imidazol-5-yl)ethyl]pyrrole-2-carboxamide?
1-ethyl-N-[2-(1H-imidazol-5-yl)ethyl]pyrrole-2-carboxamide has a molecular weight of 232.29 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[2-(1H-imidazol-5-yl)ethyl]pyrrole-2-carboxamide is sourced from PubChem (CID 65231356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).