4-[methyl-(1-methylimidazol-2-yl)amino]benzenecarboximidamide

C12H15N5 — CID 62969809

IUPAC4-[methyl-(1-methylimidazol-2-yl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(C)c2nccn2C)cc1
InChIInChI=1S/C12H15N5/c1-16-8-7-15-12(16)17(2)10-5-3-9(4-6-10)11(13)14/h3-8H,1-2H3,(H3,13,14)
InChIKeyPKBCYOMJMRTHTH-UHFFFAOYSA-N
MW229.29 g/mol
LogP1.47
Rot. Bonds3

About 4-[methyl-(1-methylimidazol-2-yl)amino]benzenecarboximidamide

4-[methyl-(1-methylimidazol-2-yl)amino]benzenecarboximidamide (PubChem CID 62969809) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is 4-[methyl-(1-methylimidazol-2-yl)amino]benzenecarboximidamide.

Molecular Properties

Compound Name4-[methyl-(1-methylimidazol-2-yl)amino]benzenecarboximidamide
PubChem CID62969809
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC Name4-[methyl-(1-methylimidazol-2-yl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(C)c2nccn2C)cc1
InChIInChI=1S/C12H15N5/c1-16-8-7-15-12(16)17(2)10-5-3-9(4-6-10)11(13)14/h3-8H,1-2H3,(H3,13,14)
InChIKeyPKBCYOMJMRTHTH-UHFFFAOYSA-N
XLogP1.47
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-[methyl-(2-methyl-4-pyridinyl)amino]benzenecarboximidamide
CID 113482500
4-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethoxy]benzenecarboximidamide
CID 63013963
4-[3-(4-carbamimidoyl-N-methylanilino)propyl-methylamino]benzenecarboximidamide
CID 122182388
4-[3-(dimethylamino)propyl-methylamino]benzenecarboximidamide
CID 63693855
4-[(5-bromopyrimidin-4-yl)-methylamino]benzenecarboximidamide
CID 66340530
4-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]benzenecarboximidamide
CID 79718865
4-[methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]benzenecarboximidamide
CID 65267617
4-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl(methyl)amino]benzenecarboximidamide
CID 62970161
4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzenecarboximidamide
CID 63236757
4-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-methylamino]benzenecarboximidamide
CID 136971709
4-[methyl-[(1-propan-2-ylpyrazol-3-yl)methyl]amino]benzenecarboximidamide
CID 64773091
4-[(4-methoxyphenyl)methyl-methylamino]benzenecarboximidamide
CID 61417684

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-(1-methylimidazol-2-yl)amino]benzenecarboximidamide?
The IUPAC name of 4-[methyl-(1-methylimidazol-2-yl)amino]benzenecarboximidamide (CID 62969809) is 4-[methyl-(1-methylimidazol-2-yl)amino]benzenecarboximidamide.
What is the SMILES notation for 4-[methyl-(1-methylimidazol-2-yl)amino]benzenecarboximidamide?
The canonical SMILES for 4-[methyl-(1-methylimidazol-2-yl)amino]benzenecarboximidamide is [H]/N=C(\N)c1ccc(N(C)c2nccn2C)cc1.
What is the InChIKey of 4-[methyl-(1-methylimidazol-2-yl)amino]benzenecarboximidamide?
The InChIKey is PKBCYOMJMRTHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5/c1-16-8-7-15-12(16)17(2)10-5-3-9(4-6-10)11(13)14/h3-8H,1-2H3,(H3,13,14).
What are the key properties of 4-[methyl-(1-methylimidazol-2-yl)amino]benzenecarboximidamide?
4-[methyl-(1-methylimidazol-2-yl)amino]benzenecarboximidamide has a molecular weight of 229.29 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-(1-methylimidazol-2-yl)amino]benzenecarboximidamide is sourced from PubChem (CID 62969809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).