1-methyl-4-nitro-5-(2-thiophen-2-ylpyrrolidin-1-yl)imidazole

C12H14N4O2S — CID 47121042

IUPAC1-methyl-4-nitro-5-(2-thiophen-2-ylpyrrolidin-1-yl)imidazole
SMILESCn1cnc([N+](=O)[O-])c1N1CCCC1c1cccs1
InChIInChI=1S/C12H14N4O2S/c1-14-8-13-11(16(17)18)12(14)15-6-2-4-9(15)10-5-3-7-19-10/h3,5,7-9H,2,4,6H2,1H3
InChIKeyMPKZWVQGBUFOJZ-UHFFFAOYSA-N
MW278.34 g/mol
LogP2.73
Rot. Bonds3

About 1-methyl-4-nitro-5-(2-thiophen-2-ylpyrrolidin-1-yl)imidazole

1-methyl-4-nitro-5-(2-thiophen-2-ylpyrrolidin-1-yl)imidazole (PubChem CID 47121042) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is 1-methyl-4-nitro-5-(2-thiophen-2-ylpyrrolidin-1-yl)imidazole.

Molecular Properties

Compound Name1-methyl-4-nitro-5-(2-thiophen-2-ylpyrrolidin-1-yl)imidazole
PubChem CID47121042
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC Name1-methyl-4-nitro-5-(2-thiophen-2-ylpyrrolidin-1-yl)imidazole
SMILESCn1cnc([N+](=O)[O-])c1N1CCCC1c1cccs1
InChIInChI=1S/C12H14N4O2S/c1-14-8-13-11(16(17)18)12(14)15-6-2-4-9(15)10-5-3-7-19-10/h3,5,7-9H,2,4,6H2,1H3
InChIKeyMPKZWVQGBUFOJZ-UHFFFAOYSA-N
XLogP2.73
TPSA64.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-methyl-4-nitro-5-(2-thiophen-2-ylpyrrolidin-1-yl)imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-3-methyl-4-nitro-5-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]pyrazole
CID 124628538
2-[1-(3-methyl-5-nitroimidazol-4-yl)pyrrolidin-2-yl]-1H-benzimidazole
CID 71853949
5-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]-1-methyl-4-nitroimidazole
CID 95175570
1-methyl-4-nitro-5-(2-pyrrolidin-2-ylpyrrolidin-1-yl)imidazole
CID 62275463
2-[1-(3-methyl-5-nitroimidazol-4-yl)pyrrolidin-2-yl]acetic acid
CID 61371306
1-(2-fluoro-4-nitrophenyl)-2-thiophen-2-ylpyrrolidine
CID 42960310
2-methoxy-4,6-bis[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]-1,3,5-triazine
CID 124865996
1-(4-nitrophenyl)sulfonyl-2-thiophen-2-ylpyrrolidine
CID 43001355
2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine
CID 97012968
1-(3-methyl-5-nitroimidazol-4-yl)azetidin-3-amine
CID 65249522
(2R)-N-pyrimidin-2-yl-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide
CID 124829882
2-(2-thiophen-2-ylpyrrolidin-1-yl)-5-(trifluoromethoxy)pyridine
CID 133488469

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-nitro-5-(2-thiophen-2-ylpyrrolidin-1-yl)imidazole?
The IUPAC name of 1-methyl-4-nitro-5-(2-thiophen-2-ylpyrrolidin-1-yl)imidazole (CID 47121042) is 1-methyl-4-nitro-5-(2-thiophen-2-ylpyrrolidin-1-yl)imidazole.
What is the SMILES notation for 1-methyl-4-nitro-5-(2-thiophen-2-ylpyrrolidin-1-yl)imidazole?
The canonical SMILES for 1-methyl-4-nitro-5-(2-thiophen-2-ylpyrrolidin-1-yl)imidazole is Cn1cnc([N+](=O)[O-])c1N1CCCC1c1cccs1.
What is the InChIKey of 1-methyl-4-nitro-5-(2-thiophen-2-ylpyrrolidin-1-yl)imidazole?
The InChIKey is MPKZWVQGBUFOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c1-14-8-13-11(16(17)18)12(14)15-6-2-4-9(15)10-5-3-7-19-10/h3,5,7-9H,2,4,6H2,1H3.
What are the key properties of 1-methyl-4-nitro-5-(2-thiophen-2-ylpyrrolidin-1-yl)imidazole?
1-methyl-4-nitro-5-(2-thiophen-2-ylpyrrolidin-1-yl)imidazole has a molecular weight of 278.34 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-nitro-5-(2-thiophen-2-ylpyrrolidin-1-yl)imidazole is sourced from PubChem (CID 47121042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).