5-ethyl-N-(2-imidazol-1-ylpropyl)-1H-pyrrole-2-carboxamide

C13H18N4O — CID 91791046

IUPAC5-ethyl-N-(2-imidazol-1-ylpropyl)-1H-pyrrole-2-carboxamide
SMILESCCc1ccc(C(=O)NCC(C)n2ccnc2)[nH]1
InChIInChI=1S/C13H18N4O/c1-3-11-4-5-12(16-11)13(18)15-8-10(2)17-7-6-14-9-17/h4-7,9-10,16H,3,8H2,1-2H3,(H,15,18)
InChIKeyIJVJVHUBLBBGLW-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.76
Rot. Bonds5

About 5-ethyl-N-(2-imidazol-1-ylpropyl)-1H-pyrrole-2-carboxamide

5-ethyl-N-(2-imidazol-1-ylpropyl)-1H-pyrrole-2-carboxamide (PubChem CID 91791046) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 5-ethyl-N-(2-imidazol-1-ylpropyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-(2-imidazol-1-ylpropyl)-1H-pyrrole-2-carboxamide
PubChem CID91791046
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name5-ethyl-N-(2-imidazol-1-ylpropyl)-1H-pyrrole-2-carboxamide
SMILESCCc1ccc(C(=O)NCC(C)n2ccnc2)[nH]1
InChIInChI=1S/C13H18N4O/c1-3-11-4-5-12(16-11)13(18)15-8-10(2)17-7-6-14-9-17/h4-7,9-10,16H,3,8H2,1-2H3,(H,15,18)
InChIKeyIJVJVHUBLBBGLW-UHFFFAOYSA-N
XLogP1.76
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-N-[(2R)-2-imidazol-1-ylpropyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 97143013
N-[(2R)-2-(dimethylamino)-3-methylbutyl]-5-ethyl-1H-pyrrole-2-carboxamide
CID 125442761
tert-butyl N-(2-imidazol-1-ylpropyl)carbamate
CID 151187469
4-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-N-[(2S)-2-imidazol-1-ylpropyl]benzamide
CID 125436426
4-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-N-[(2R)-2-imidazol-1-ylpropyl]benzamide
CID 125436427
N-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-5-ethyl-1H-pyrrole-2-carboxamide
CID 126452908
2-(2,4-dimethoxyphenyl)-N-(2-imidazol-1-ylpropyl)acetamide
CID 91841839
1-butan-2-ylimidazole;methyl hydrogen carbonate
CID 174740697
5-ethyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 91788462
2-imidazol-1-yl-N-propylpropan-1-amine
CID 62449251
(3R)-3-imidazol-1-ylbutanoic acid
CID 683521
N-[(2R)-2-imidazol-1-ylpropyl]-4-(2-methylpyrimidin-4-yl)piperidine-1-carboxamide
CID 125438167

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(2-imidazol-1-ylpropyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 5-ethyl-N-(2-imidazol-1-ylpropyl)-1H-pyrrole-2-carboxamide (CID 91791046) is 5-ethyl-N-(2-imidazol-1-ylpropyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 5-ethyl-N-(2-imidazol-1-ylpropyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 5-ethyl-N-(2-imidazol-1-ylpropyl)-1H-pyrrole-2-carboxamide is CCc1ccc(C(=O)NCC(C)n2ccnc2)[nH]1.
What is the InChIKey of 5-ethyl-N-(2-imidazol-1-ylpropyl)-1H-pyrrole-2-carboxamide?
The InChIKey is IJVJVHUBLBBGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-3-11-4-5-12(16-11)13(18)15-8-10(2)17-7-6-14-9-17/h4-7,9-10,16H,3,8H2,1-2H3,(H,15,18).
What are the key properties of 5-ethyl-N-(2-imidazol-1-ylpropyl)-1H-pyrrole-2-carboxamide?
5-ethyl-N-(2-imidazol-1-ylpropyl)-1H-pyrrole-2-carboxamide has a molecular weight of 246.31 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(2-imidazol-1-ylpropyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 91791046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).