1-methyl-3-[[4-(methylamino)-3-nitrophenyl]methyl]imidazolidin-2-one

C12H16N4O3 — CID 62492393

IUPAC1-methyl-3-[[4-(methylamino)-3-nitrophenyl]methyl]imidazolidin-2-one
SMILESCNc1ccc(CN2CCN(C)C2=O)cc1[N+](=O)[O-]
InChIInChI=1S/C12H16N4O3/c1-13-10-4-3-9(7-11(10)16(18)19)8-15-6-5-14(2)12(15)17/h3-4,7,13H,5-6,8H2,1-2H3
InChIKeyGQHAOADXRDCNTG-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.50
Rot. Bonds4

About 1-methyl-3-[[4-(methylamino)-3-nitrophenyl]methyl]imidazolidin-2-one

1-methyl-3-[[4-(methylamino)-3-nitrophenyl]methyl]imidazolidin-2-one (PubChem CID 62492393) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is 1-methyl-3-[[4-(methylamino)-3-nitrophenyl]methyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-methyl-3-[[4-(methylamino)-3-nitrophenyl]methyl]imidazolidin-2-one
PubChem CID62492393
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Name1-methyl-3-[[4-(methylamino)-3-nitrophenyl]methyl]imidazolidin-2-one
SMILESCNc1ccc(CN2CCN(C)C2=O)cc1[N+](=O)[O-]
InChIInChI=1S/C12H16N4O3/c1-13-10-4-3-9(7-11(10)16(18)19)8-15-6-5-14(2)12(15)17/h3-4,7,13H,5-6,8H2,1-2H3
InChIKeyGQHAOADXRDCNTG-UHFFFAOYSA-N
XLogP1.50
TPSA78.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(3,4-dimethylpyrrolidin-1-yl)methyl]-N-methyl-2-nitroaniline
CID 79184018
4-methyl-1-[[4-(methylamino)-3-nitrophenyl]methyl]piperidine-2,6-dione
CID 79497407
N-methyl-2-nitro-4-[(4-propan-2-ylpiperazin-1-yl)methyl]aniline
CID 62183827
N-methyl-2-nitro-4-[(3,3,4-trimethylpiperazin-1-yl)methyl]aniline
CID 63633903
4-[[4-(2,2-difluoroethyl)piperazin-1-yl]methyl]-N-methyl-2-nitroaniline
CID 84593954
[1-[[4-(methylamino)-3-nitrophenyl]methyl]piperidin-2-yl]methanol
CID 62208427
N-methyl-2-nitro-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]aniline
CID 62195761
4-[[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methyl]-N-methyl-2-nitroaniline
CID 166400942
N-methyl-4-[(3-methylmorpholin-4-yl)methyl]-2-nitroaniline
CID 62182937
3-methyl-4-[[4-(methylamino)-3-nitrophenyl]methyl]piperazine-2,6-dione
CID 66075833
N,N,4-trimethyl-1-[[4-(methylamino)-3-nitrophenyl]methyl]pyrrolidin-3-amine
CID 81464111
2-[1-[[4-(methylamino)-3-nitrophenyl]methyl]piperidin-2-yl]ethanol
CID 62184446

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[[4-(methylamino)-3-nitrophenyl]methyl]imidazolidin-2-one?
The IUPAC name of 1-methyl-3-[[4-(methylamino)-3-nitrophenyl]methyl]imidazolidin-2-one (CID 62492393) is 1-methyl-3-[[4-(methylamino)-3-nitrophenyl]methyl]imidazolidin-2-one.
What is the SMILES notation for 1-methyl-3-[[4-(methylamino)-3-nitrophenyl]methyl]imidazolidin-2-one?
The canonical SMILES for 1-methyl-3-[[4-(methylamino)-3-nitrophenyl]methyl]imidazolidin-2-one is CNc1ccc(CN2CCN(C)C2=O)cc1[N+](=O)[O-].
What is the InChIKey of 1-methyl-3-[[4-(methylamino)-3-nitrophenyl]methyl]imidazolidin-2-one?
The InChIKey is GQHAOADXRDCNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-13-10-4-3-9(7-11(10)16(18)19)8-15-6-5-14(2)12(15)17/h3-4,7,13H,5-6,8H2,1-2H3.
What are the key properties of 1-methyl-3-[[4-(methylamino)-3-nitrophenyl]methyl]imidazolidin-2-one?
1-methyl-3-[[4-(methylamino)-3-nitrophenyl]methyl]imidazolidin-2-one has a molecular weight of 264.28 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[[4-(methylamino)-3-nitrophenyl]methyl]imidazolidin-2-one is sourced from PubChem (CID 62492393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).