2-[[2-[2-(dimethylamino)ethyl]imidazol-1-yl]methyl]benzenecarboximidamide

C15H21N5 — CID 82557818

IUPAC2-[[2-[2-(dimethylamino)ethyl]imidazol-1-yl]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1Cn1ccnc1CCN(C)C
InChIInChI=1S/C15H21N5/c1-19(2)9-7-14-18-8-10-20(14)11-12-5-3-4-6-13(12)15(16)17/h3-6,8,10H,7,9,11H2,1-2H3,(H3,16,17)
InChIKeyDZTQHUXVNPCDJQ-UHFFFAOYSA-N
MW271.37 g/mol
LogP1.32
Rot. Bonds6

About 2-[[2-[2-(dimethylamino)ethyl]imidazol-1-yl]methyl]benzenecarboximidamide

2-[[2-[2-(dimethylamino)ethyl]imidazol-1-yl]methyl]benzenecarboximidamide (PubChem CID 82557818) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 2-[[2-[2-(dimethylamino)ethyl]imidazol-1-yl]methyl]benzenecarboximidamide.

Molecular Properties

Compound Name2-[[2-[2-(dimethylamino)ethyl]imidazol-1-yl]methyl]benzenecarboximidamide
PubChem CID82557818
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name2-[[2-[2-(dimethylamino)ethyl]imidazol-1-yl]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1Cn1ccnc1CCN(C)C
InChIInChI=1S/C15H21N5/c1-19(2)9-7-14-18-8-10-20(14)11-12-5-3-4-6-13(12)15(16)17/h3-6,8,10H,7,9,11H2,1-2H3,(H3,16,17)
InChIKeyDZTQHUXVNPCDJQ-UHFFFAOYSA-N
XLogP1.32
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 51.32
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

2-[[2-[(2,4-difluorophenyl)methyl]imidazol-1-yl]methyl]benzenecarboximidamide
CID 82558374
2-[[2-[(1-phenylpyrazol-4-yl)methyl]imidazol-1-yl]methyl]benzenecarboximidamide
CID 82558446
3-[(2-ethylimidazol-1-yl)methyl]pyridine-2-carboximidamide
CID 62895246
2-[2-[2-(dimethylamino)ethyl]imidazol-1-yl]ethanol
CID 82559905
2-[3-(dimethylamino)propoxy]pyridine-3-carboximidamide;hydrochloride
CID 82253262
2-[3-(dimethylamino)propyl-methylamino]benzenecarboximidamide
CID 63694371
2-[[2-[[4-(dimethylamino)phenyl]methyl]imidazol-1-yl]methyl]benzoic acid
CID 82560231
2-[[2-[(4-aminophenyl)methyl]imidazol-1-yl]methyl]benzenecarbothioamide
CID 82558661
3-[2-[2-(dimethylamino)ethyl]imidazol-1-yl]propan-1-amine
CID 82557807
2-[[2-(2-morpholin-4-ylethyl)imidazol-1-yl]methyl]benzenecarbothioamide
CID 82558301
2-[[2-[(2-methoxyphenyl)methyl]imidazol-1-yl]methyl]benzenecarbothioamide
CID 82557961
3-[[2-(dimethylamino)ethyl-methylamino]methyl]pyridine-2-carboximidamide
CID 63694039

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-(dimethylamino)ethyl]imidazol-1-yl]methyl]benzenecarboximidamide?
The IUPAC name of 2-[[2-[2-(dimethylamino)ethyl]imidazol-1-yl]methyl]benzenecarboximidamide (CID 82557818) is 2-[[2-[2-(dimethylamino)ethyl]imidazol-1-yl]methyl]benzenecarboximidamide.
What is the SMILES notation for 2-[[2-[2-(dimethylamino)ethyl]imidazol-1-yl]methyl]benzenecarboximidamide?
The canonical SMILES for 2-[[2-[2-(dimethylamino)ethyl]imidazol-1-yl]methyl]benzenecarboximidamide is [H]/N=C(\N)c1ccccc1Cn1ccnc1CCN(C)C.
What is the InChIKey of 2-[[2-[2-(dimethylamino)ethyl]imidazol-1-yl]methyl]benzenecarboximidamide?
The InChIKey is DZTQHUXVNPCDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-19(2)9-7-14-18-8-10-20(14)11-12-5-3-4-6-13(12)15(16)17/h3-6,8,10H,7,9,11H2,1-2H3,(H3,16,17).
What are the key properties of 2-[[2-[2-(dimethylamino)ethyl]imidazol-1-yl]methyl]benzenecarboximidamide?
2-[[2-[2-(dimethylamino)ethyl]imidazol-1-yl]methyl]benzenecarboximidamide has a molecular weight of 271.37 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-(dimethylamino)ethyl]imidazol-1-yl]methyl]benzenecarboximidamide is sourced from PubChem (CID 82557818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).