5-ethyl-4-(3-hydroxyphenyl)-1-[2-(1H-imidazol-5-yl)ethyl]-2-methylpyrrole-3-carboxamide

C19H22N4O2 — CID 3831204

IUPAC5-ethyl-4-(3-hydroxyphenyl)-1-[2-(1H-imidazol-5-yl)ethyl]-2-methylpyrrole-3-carboxamide
SMILESCCc1c(-c2cccc(O)c2)c(C(N)=O)c(C)n1CCc1cnc[nH]1
InChIInChI=1S/C19H22N4O2/c1-3-16-18(13-5-4-6-15(24)9-13)17(19(20)25)12(2)23(16)8-7-14-10-21-11-22-14/h4-6,9-11,24H,3,7-8H2,1-2H3,(H2,20,25)(H,21,22)
InChIKeyIQJKPZOLMJUNCX-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.80
Rot. Bonds6

About 5-ethyl-4-(3-hydroxyphenyl)-1-[2-(1H-imidazol-5-yl)ethyl]-2-methylpyrrole-3-carboxamide

5-ethyl-4-(3-hydroxyphenyl)-1-[2-(1H-imidazol-5-yl)ethyl]-2-methylpyrrole-3-carboxamide (PubChem CID 3831204) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 5-ethyl-4-(3-hydroxyphenyl)-1-[2-(1H-imidazol-5-yl)ethyl]-2-methylpyrrole-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-4-(3-hydroxyphenyl)-1-[2-(1H-imidazol-5-yl)ethyl]-2-methylpyrrole-3-carboxamide
PubChem CID3831204
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name5-ethyl-4-(3-hydroxyphenyl)-1-[2-(1H-imidazol-5-yl)ethyl]-2-methylpyrrole-3-carboxamide
SMILESCCc1c(-c2cccc(O)c2)c(C(N)=O)c(C)n1CCc1cnc[nH]1
InChIInChI=1S/C19H22N4O2/c1-3-16-18(13-5-4-6-15(24)9-13)17(19(20)25)12(2)23(16)8-7-14-10-21-11-22-14/h4-6,9-11,24H,3,7-8H2,1-2H3,(H2,20,25)(H,21,22)
InChIKeyIQJKPZOLMJUNCX-UHFFFAOYSA-N
XLogP2.80
TPSA96.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-4-(4-fluorophenyl)-1-[2-(1H-imidazol-5-yl)ethyl]-2-methylpyrrole-3-carboxamide
CID 3254803
4-(3-fluorophenyl)-1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-5-pentylpyrrole-3-carboxamide
CID 3691039
5-ethyl-1-[2-(1H-imidazol-5-yl)ethyl]-4-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide
CID 3423935
5-butyl-1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-4-(3-phenoxyphenyl)pyrrole-3-carboxamide
CID 3849110
1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-4-(4-phenylphenyl)-5-propylpyrrole-3-carboxamide
CID 3830805
5-ethyl-1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-4-quinolin-2-ylpyrrole-3-carboxamide
CID 3776382
4-[4-(dimethylamino)phenyl]-1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-5-propylpyrrole-3-carboxamide
CID 3741634
5-butyl-4-(4-cyanophenyl)-1-[2-(1H-imidazol-5-yl)ethyl]-2-methylpyrrole-3-carboxamide
CID 3741402
5-ethyl-4-(3-hydroxyphenyl)-2-methyl-1-(3-morpholin-4-ylpropyl)pyrrole-3-carboxamide
CID 3608616
5-ethyl-4-(3-hydroxyphenyl)-1-[2-(4-hydroxyphenyl)ethyl]-2-methylpyrrole-3-carboxamide;5-ethyl-1-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-(3-methylphenyl)pyrrole-3-carboxamide;methane;1-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-(3-methylphenyl)-5-propylpyrrole-3-carboxamide
CID 161104087
4-(3-hydroxyphenyl)-2-methyl-1-(3-morpholin-4-ylpropyl)-5-pentylpyrrole-3-carboxamide
CID 3480119
4-(3-hydroxyphenyl)-2-methyl-5-propyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
CID 4987970

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-(3-hydroxyphenyl)-1-[2-(1H-imidazol-5-yl)ethyl]-2-methylpyrrole-3-carboxamide?
The IUPAC name of 5-ethyl-4-(3-hydroxyphenyl)-1-[2-(1H-imidazol-5-yl)ethyl]-2-methylpyrrole-3-carboxamide (CID 3831204) is 5-ethyl-4-(3-hydroxyphenyl)-1-[2-(1H-imidazol-5-yl)ethyl]-2-methylpyrrole-3-carboxamide.
What is the SMILES notation for 5-ethyl-4-(3-hydroxyphenyl)-1-[2-(1H-imidazol-5-yl)ethyl]-2-methylpyrrole-3-carboxamide?
The canonical SMILES for 5-ethyl-4-(3-hydroxyphenyl)-1-[2-(1H-imidazol-5-yl)ethyl]-2-methylpyrrole-3-carboxamide is CCc1c(-c2cccc(O)c2)c(C(N)=O)c(C)n1CCc1cnc[nH]1.
What is the InChIKey of 5-ethyl-4-(3-hydroxyphenyl)-1-[2-(1H-imidazol-5-yl)ethyl]-2-methylpyrrole-3-carboxamide?
The InChIKey is IQJKPZOLMJUNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-3-16-18(13-5-4-6-15(24)9-13)17(19(20)25)12(2)23(16)8-7-14-10-21-11-22-14/h4-6,9-11,24H,3,7-8H2,1-2H3,(H2,20,25)(H,21,22).
What are the key properties of 5-ethyl-4-(3-hydroxyphenyl)-1-[2-(1H-imidazol-5-yl)ethyl]-2-methylpyrrole-3-carboxamide?
5-ethyl-4-(3-hydroxyphenyl)-1-[2-(1H-imidazol-5-yl)ethyl]-2-methylpyrrole-3-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 2.80, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-(3-hydroxyphenyl)-1-[2-(1H-imidazol-5-yl)ethyl]-2-methylpyrrole-3-carboxamide is sourced from PubChem (CID 3831204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).