4-amino-N-[2-(dimethylaminocarbamoyl)-1-methylimidazol-4-yl]-1-methylimidazole-2-carboxamide

C12H18N8O2 — CID 19108635

IUPAC4-amino-N-[2-(dimethylaminocarbamoyl)-1-methylimidazol-4-yl]-1-methylimidazole-2-carboxamide
SMILESCN(C)NC(=O)c1nc(NC(=O)c2nc(N)cn2C)cn1C
InChIInChI=1S/C12H18N8O2/c1-18(2)17-12(22)10-15-8(6-20(10)4)16-11(21)9-14-7(13)5-19(9)3/h5-6H,13H2,1-4H3,(H,16,21)(H,17,22)
InChIKeyYGJOYDSFHGDOTE-UHFFFAOYSA-N
MW306.33 g/mol
LogP-0.81
Rot. Bonds4

About 4-amino-N-[2-(dimethylaminocarbamoyl)-1-methylimidazol-4-yl]-1-methylimidazole-2-carboxamide

4-amino-N-[2-(dimethylaminocarbamoyl)-1-methylimidazol-4-yl]-1-methylimidazole-2-carboxamide (PubChem CID 19108635) has the molecular formula C12H18N8O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is 4-amino-N-[2-(dimethylaminocarbamoyl)-1-methylimidazol-4-yl]-1-methylimidazole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(dimethylaminocarbamoyl)-1-methylimidazol-4-yl]-1-methylimidazole-2-carboxamide
PubChem CID19108635
Molecular FormulaC12H18N8O2
Molecular Weight306.33 g/mol
Exact Mass306.16
IUPAC Name4-amino-N-[2-(dimethylaminocarbamoyl)-1-methylimidazol-4-yl]-1-methylimidazole-2-carboxamide
SMILESCN(C)NC(=O)c1nc(NC(=O)c2nc(N)cn2C)cn1C
InChIInChI=1S/C12H18N8O2/c1-18(2)17-12(22)10-15-8(6-20(10)4)16-11(21)9-14-7(13)5-19(9)3/h5-6H,13H2,1-4H3,(H,16,21)(H,17,22)
InChIKeyYGJOYDSFHGDOTE-UHFFFAOYSA-N
XLogP-0.81
TPSA123.10 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 5-0.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-amino-N-[2-(dimethylaminocarbamoyl)-1-methylimidazol-4-yl]-1-methylimidazole-2-carboxamide 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

4-amino-1-methylimidazole-2-carboxylic acid
CID 4635498
4-[(2-chloroacetyl)amino]-N-[2-[2-(dimethylamino)ethylcarbamoyl]-1-methylimidazol-4-yl]-1-methylimidazole-2-carboxamide
CID 10409331
methyl 4-[(4-amino-1-methylimidazole-2-carbonyl)amino]benzoate;hydrochloride
CID 135351170
1-(4-amino-1-methylimidazol-2-yl)ethanone;ethane
CID 143059053
2-(dimethylamino)ethyl-[4-[[4-[(4-formamido-1-methylimidazole-2-carbonyl)amino]-1-methylimidazole-2-carbonyl]amino]-1-methylimidazole-2-carbonyl]azanium
CID 102212881
4-benzamido-1-methylimidazole-2-carboxylic acid
CID 121013976
N-(3-amino-3-iminopropyl)-3-[[3-[(4-amino-1-methylimidazole-2-carbonyl)amino]-1-methylpyrazole-5-carbonyl]amino]-1-methylpyrazole-5-carboxamide
CID 70114726
ethyl 4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]-1-methylimidazole-2-carboxylate
CID 59799146
ethyl 4-amino-1-methylimidazole-2-carboxylate;hydrochloride
CID 22349687
4-amino-N-[5-[(4-fluorophenyl)carbamoyl]-1H-pyrazol-4-yl]-1-methylimidazole-2-carboxamide
CID 59733306
N-[3-[3-(dimethylamino)propylamino]-3-oxopropyl]-1-methyl-4-[3-[[1-methyl-4-[[1-methyl-4-[3-[[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]imidazole-2-carbonyl]amino]propanoylamino]imidazole-2-carbonyl]amino]imidazole-2-carbonyl]amino]propanoylamino]imidazole-2-carboxamide
CID 15602792
N-(4-aminophenyl)-1,4-dimethylimidazole-2-carboxamide
CID 158458619

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(dimethylaminocarbamoyl)-1-methylimidazol-4-yl]-1-methylimidazole-2-carboxamide?
The IUPAC name of 4-amino-N-[2-(dimethylaminocarbamoyl)-1-methylimidazol-4-yl]-1-methylimidazole-2-carboxamide (CID 19108635) is 4-amino-N-[2-(dimethylaminocarbamoyl)-1-methylimidazol-4-yl]-1-methylimidazole-2-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(dimethylaminocarbamoyl)-1-methylimidazol-4-yl]-1-methylimidazole-2-carboxamide?
The canonical SMILES for 4-amino-N-[2-(dimethylaminocarbamoyl)-1-methylimidazol-4-yl]-1-methylimidazole-2-carboxamide is CN(C)NC(=O)c1nc(NC(=O)c2nc(N)cn2C)cn1C.
What is the InChIKey of 4-amino-N-[2-(dimethylaminocarbamoyl)-1-methylimidazol-4-yl]-1-methylimidazole-2-carboxamide?
The InChIKey is YGJOYDSFHGDOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N8O2/c1-18(2)17-12(22)10-15-8(6-20(10)4)16-11(21)9-14-7(13)5-19(9)3/h5-6H,13H2,1-4H3,(H,16,21)(H,17,22).
What are the key properties of 4-amino-N-[2-(dimethylaminocarbamoyl)-1-methylimidazol-4-yl]-1-methylimidazole-2-carboxamide?
4-amino-N-[2-(dimethylaminocarbamoyl)-1-methylimidazol-4-yl]-1-methylimidazole-2-carboxamide has a molecular weight of 306.33 g/mol, XLogP of -0.81, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(dimethylaminocarbamoyl)-1-methylimidazol-4-yl]-1-methylimidazole-2-carboxamide is sourced from PubChem (CID 19108635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).