4-(5-chlorothiophen-2-yl)-N-[[4-(1-methylimidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-1H-pyrrole-3-carboxamide

C17H15ClN6O3S — CID 136572415

IUPAC4-(5-chlorothiophen-2-yl)-N-[[4-(1-methylimidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-1H-pyrrole-3-carboxamide
SMILESCn1ccnc1C1(CNC(=O)c2c[nH]cc2-c2ccc(Cl)s2)NC(=O)NC1=O
InChIInChI=1S/C17H15ClN6O3S/c1-24-5-4-20-14(24)17(15(26)22-16(27)23-17)8-21-13(25)10-7-19-6-9(10)11-2-3-12(18)28-11/h2-7,19H,8H2,1H3,(H,21,25)(H2,22,23,26,27)
InChIKeyJHULRWSZRHAGLV-UHFFFAOYSA-N
MW418.87 g/mol
LogP1.59
Rot. Bonds5

About 4-(5-chlorothiophen-2-yl)-N-[[4-(1-methylimidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-1H-pyrrole-3-carboxamide

4-(5-chlorothiophen-2-yl)-N-[[4-(1-methylimidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-1H-pyrrole-3-carboxamide (PubChem CID 136572415) has the molecular formula C17H15ClN6O3S and a molecular weight of 418.87 g/mol. Its IUPAC name is 4-(5-chlorothiophen-2-yl)-N-[[4-(1-methylimidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name4-(5-chlorothiophen-2-yl)-N-[[4-(1-methylimidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-1H-pyrrole-3-carboxamide
PubChem CID136572415
Molecular FormulaC17H15ClN6O3S
Molecular Weight418.87 g/mol
Exact Mass418.06
IUPAC Name4-(5-chlorothiophen-2-yl)-N-[[4-(1-methylimidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-1H-pyrrole-3-carboxamide
SMILESCn1ccnc1C1(CNC(=O)c2c[nH]cc2-c2ccc(Cl)s2)NC(=O)NC1=O
InChIInChI=1S/C17H15ClN6O3S/c1-24-5-4-20-14(24)17(15(26)22-16(27)23-17)8-21-13(25)10-7-19-6-9(10)11-2-3-12(18)28-11/h2-7,19H,8H2,1H3,(H,21,25)(H2,22,23,26,27)
InChIKeyJHULRWSZRHAGLV-UHFFFAOYSA-N
XLogP1.59
TPSA120.91 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.87
LogP ≤ 51.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

4-(5-chlorothiophen-2-yl)-N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-1H-pyrrole-3-carboxamide
CID 56799170
5-butyl-1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-4-thiophen-2-ylpyrrole-3-carboxamide
CID 3284067
1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-5-pentyl-4-thiophen-3-ylpyrrole-3-carboxamide
CID 3499453
1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-5-propyl-4-thiophen-3-ylpyrrole-3-carboxamide
CID 3737135
1-[2-(1H-imidazol-5-yl)ethyl]-2,5-dimethyl-4-thiophen-2-ylpyrrole-3-carboxamide
CID 3775797
5-butyl-1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-4-thiophen-3-ylpyrrole-3-carboxamide
CID 3863769
1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-5-propyl-4-thiophen-2-ylpyrrole-3-carboxamide
CID 4339727
1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-5-pentyl-4-thiophen-2-ylpyrrole-3-carboxamide
CID 5016282
4-(5-chlorothiophen-2-yl)-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-1H-pyrrole-3-carboxamide
CID 47517647
4-(5-chlorothiophen-2-yl)-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1H-pyrrole-3-carboxamide
CID 47519098
N-(2-tert-butylpyrimidin-5-yl)-4-(5-chlorothiophen-2-yl)-1H-pyrrole-3-carboxamide
CID 48368686
4-(5-chlorothiophen-2-yl)-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1H-pyrrole-3-carboxamide
CID 48371976

Frequently Asked Questions

What is the IUPAC name of 4-(5-chlorothiophen-2-yl)-N-[[4-(1-methylimidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-1H-pyrrole-3-carboxamide?
The IUPAC name of 4-(5-chlorothiophen-2-yl)-N-[[4-(1-methylimidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-1H-pyrrole-3-carboxamide (CID 136572415) is 4-(5-chlorothiophen-2-yl)-N-[[4-(1-methylimidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 4-(5-chlorothiophen-2-yl)-N-[[4-(1-methylimidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for 4-(5-chlorothiophen-2-yl)-N-[[4-(1-methylimidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-1H-pyrrole-3-carboxamide is Cn1ccnc1C1(CNC(=O)c2c[nH]cc2-c2ccc(Cl)s2)NC(=O)NC1=O.
What is the InChIKey of 4-(5-chlorothiophen-2-yl)-N-[[4-(1-methylimidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-1H-pyrrole-3-carboxamide?
The InChIKey is JHULRWSZRHAGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN6O3S/c1-24-5-4-20-14(24)17(15(26)22-16(27)23-17)8-21-13(25)10-7-19-6-9(10)11-2-3-12(18)28-11/h2-7,19H,8H2,1H3,(H,21,25)(H2,22,23,26,27).
What are the key properties of 4-(5-chlorothiophen-2-yl)-N-[[4-(1-methylimidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-1H-pyrrole-3-carboxamide?
4-(5-chlorothiophen-2-yl)-N-[[4-(1-methylimidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-1H-pyrrole-3-carboxamide has a molecular weight of 418.87 g/mol, XLogP of 1.59, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chlorothiophen-2-yl)-N-[[4-(1-methylimidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 136572415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).