[1-(2,3-dimethyl-5-nitroimidazol-4-yl)-3-methylpyrrolidin-2-yl]methanol

C11H18N4O3 — CID 103555147

IUPAC[1-(2,3-dimethyl-5-nitroimidazol-4-yl)-3-methylpyrrolidin-2-yl]methanol
SMILESCc1nc([N+](=O)[O-])c(N2CCC(C)C2CO)n1C
InChIInChI=1S/C11H18N4O3/c1-7-4-5-14(9(7)6-16)11-10(15(17)18)12-8(2)13(11)3/h7,9,16H,4-6H2,1-3H3
InChIKeyUGZJMZXUZYLLAJ-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.84
Rot. Bonds3

About [1-(2,3-dimethyl-5-nitroimidazol-4-yl)-3-methylpyrrolidin-2-yl]methanol

[1-(2,3-dimethyl-5-nitroimidazol-4-yl)-3-methylpyrrolidin-2-yl]methanol (PubChem CID 103555147) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is [1-(2,3-dimethyl-5-nitroimidazol-4-yl)-3-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(2,3-dimethyl-5-nitroimidazol-4-yl)-3-methylpyrrolidin-2-yl]methanol
PubChem CID103555147
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name[1-(2,3-dimethyl-5-nitroimidazol-4-yl)-3-methylpyrrolidin-2-yl]methanol
SMILESCc1nc([N+](=O)[O-])c(N2CCC(C)C2CO)n1C
InChIInChI=1S/C11H18N4O3/c1-7-4-5-14(9(7)6-16)11-10(15(17)18)12-8(2)13(11)3/h7,9,16H,4-6H2,1-3H3
InChIKeyUGZJMZXUZYLLAJ-UHFFFAOYSA-N
XLogP0.84
TPSA84.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.84
H-Bond Donors ≤ 51
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-(2,3-dimethyl-5-nitroimidazol-4-yl)-3-methylpyrrolidin-2-yl]methanol 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-(2,3-dimethyl-5-nitroimidazol-4-yl)-4-methylpiperidine-2-carboxylic acid
CID 103554699
[3-methyl-1-(6-methyl-5-nitro-2-pyridinyl)pyrrolidin-2-yl]methanol
CID 102787157
[4-(2,3-dimethyl-5-nitroimidazol-4-yl)morpholin-2-yl]methanol
CID 113251748
[1-(2,3-dimethyl-5-nitroimidazol-4-yl)-6-methylpiperidin-3-yl]methanamine
CID 103555008
1-(2,3-dimethyl-5-nitroimidazol-4-yl)-4-methylpyrrolidin-3-amine
CID 103577754
1-[1-(2,3-dimethyl-5-nitroimidazol-4-yl)azetidin-3-yl]piperazine
CID 103555034
5-(2,3-dimethyl-5-nitroimidazol-4-yl)-4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 103555039
2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-5-nitropyridine-3-carbonitrile
CID 102787201
[1-(4,6-dimethylpyrimidin-2-yl)-3-methylpyrrolidin-2-yl]methanol
CID 102787035
[1-(3-methoxy-2-nitrophenyl)-3-methylpyrrolidin-2-yl]methanol
CID 102786974
1-(2,3-dimethyl-5-nitroimidazol-4-yl)-4-ethylpiperidine-4-carboxylic acid
CID 103554602
[1-(2-bromo-4-nitrophenyl)-3-methylpyrrolidin-2-yl]methanol
CID 102786717

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dimethyl-5-nitroimidazol-4-yl)-3-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [1-(2,3-dimethyl-5-nitroimidazol-4-yl)-3-methylpyrrolidin-2-yl]methanol (CID 103555147) is [1-(2,3-dimethyl-5-nitroimidazol-4-yl)-3-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(2,3-dimethyl-5-nitroimidazol-4-yl)-3-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(2,3-dimethyl-5-nitroimidazol-4-yl)-3-methylpyrrolidin-2-yl]methanol is Cc1nc([N+](=O)[O-])c(N2CCC(C)C2CO)n1C.
What is the InChIKey of [1-(2,3-dimethyl-5-nitroimidazol-4-yl)-3-methylpyrrolidin-2-yl]methanol?
The InChIKey is UGZJMZXUZYLLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-7-4-5-14(9(7)6-16)11-10(15(17)18)12-8(2)13(11)3/h7,9,16H,4-6H2,1-3H3.
What are the key properties of [1-(2,3-dimethyl-5-nitroimidazol-4-yl)-3-methylpyrrolidin-2-yl]methanol?
[1-(2,3-dimethyl-5-nitroimidazol-4-yl)-3-methylpyrrolidin-2-yl]methanol has a molecular weight of 254.29 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3-dimethyl-5-nitroimidazol-4-yl)-3-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 103555147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).