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

C13H18N4O — CID 65231406

IUPACN-[2-(1H-imidazol-5-yl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cccc1C(=O)NCCc1cnc[nH]1
InChIInChI=1S/C13H18N4O/c1-10(2)17-7-3-4-12(17)13(18)15-6-5-11-8-14-9-16-11/h3-4,7-10H,5-6H2,1-2H3,(H,14,16)(H,15,18)
InChIKeyYCHPCGOSXZUPMK-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.76
Rot. Bonds5

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

N-[2-(1H-imidazol-5-yl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 65231406) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID65231406
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cccc1C(=O)NCCc1cnc[nH]1
InChIInChI=1S/C13H18N4O/c1-10(2)17-7-3-4-12(17)13(18)15-6-5-11-8-14-9-16-11/h3-4,7-10H,5-6H2,1-2H3,(H,14,16)(H,15,18)
InChIKeyYCHPCGOSXZUPMK-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-[2-(1H-imidazol-5-yl)ethyl]pyrrole-2-carboxamide
CID 65231356
N-[2-(1H-imidazol-5-yl)ethyl]-1-(2-methoxyethyl)pyrrole-2-carboxamide
CID 114609933
(2R)-3-(1H-imidazol-5-yl)-2-[(1-propan-2-ylpyrrole-2-carbonyl)amino]propanoic acid
CID 104894146
(2S)-N-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide
CID 164630474
2-(1H-imidazol-5-yl)ethylurea
CID 10582986
N-(2-azidoethyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 61342881
N-[2-(1H-imidazol-5-yl)ethyl]-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide
CID 172664011
N-[2-(1H-imidazol-5-yl)ethyl]but-2-enamide
CID 77051956
4-(hydroxymethyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzamide
CID 65231177
N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylprop-2-ynamide
CID 65231264
N-(3-azidopropyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 61344561
N-[2-(1H-imidazol-5-yl)ethyl]-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 65231546

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide (CID 65231406) is N-[2-(1H-imidazol-5-yl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide is CC(C)n1cccc1C(=O)NCCc1cnc[nH]1.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is YCHPCGOSXZUPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-10(2)17-7-3-4-12(17)13(18)15-6-5-11-8-14-9-16-11/h3-4,7-10H,5-6H2,1-2H3,(H,14,16)(H,15,18).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide?
N-[2-(1H-imidazol-5-yl)ethyl]-1-propan-2-ylpyrrole-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 N-[2-(1H-imidazol-5-yl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 65231406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).