4-amino-N-(2-imidazol-1-ylethyl)-3-methoxybenzamide

C13H16N4O2 — CID 104782700

IUPAC4-amino-N-(2-imidazol-1-ylethyl)-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCCn2ccnc2)ccc1N
InChIInChI=1S/C13H16N4O2/c1-19-12-8-10(2-3-11(12)14)13(18)16-5-7-17-6-4-15-9-17/h2-4,6,8-9H,5,7,14H2,1H3,(H,16,18)
InChIKeyBCTJHCMIJAKVFG-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.90
Rot. Bonds5

About 4-amino-N-(2-imidazol-1-ylethyl)-3-methoxybenzamide

4-amino-N-(2-imidazol-1-ylethyl)-3-methoxybenzamide (PubChem CID 104782700) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 4-amino-N-(2-imidazol-1-ylethyl)-3-methoxybenzamide.

Molecular Properties

Compound Name4-amino-N-(2-imidazol-1-ylethyl)-3-methoxybenzamide
PubChem CID104782700
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name4-amino-N-(2-imidazol-1-ylethyl)-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCCn2ccnc2)ccc1N
InChIInChI=1S/C13H16N4O2/c1-19-12-8-10(2-3-11(12)14)13(18)16-5-7-17-6-4-15-9-17/h2-4,6,8-9H,5,7,14H2,1H3,(H,16,18)
InChIKeyBCTJHCMIJAKVFG-UHFFFAOYSA-N
XLogP0.90
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(3-imidazol-1-ylpropyl)-3-methoxybenzamide
CID 104782388
N-(2-imidazol-1-ylethyl)-4-methoxy-3-pyrazol-1-ylbenzamide
CID 110205119
4-amino-N-(3-imidazol-1-ylpropyl)-3-methylbenzamide
CID 28993545
2-amino-N-(3-imidazol-1-ylpropyl)-6-methoxybenzamide
CID 81420626
4-(difluoromethoxy)-N-(3-imidazol-1-ylpropyl)-3-methoxybenzamide
CID 51155757
4-amino-3-methoxy-N-propylbenzamide
CID 67095444
4-bromo-N-(3-imidazol-1-ylpropyl)-3,5-dimethoxybenzamide
CID 51250642
4-amino-3-fluoro-N-(4-imidazol-1-ylbutyl)benzamide
CID 62681162
4-amino-N-[2-(diethylamino)ethyl]-3-methoxybenzamide
CID 58155168
4-bromo-N-(2-imidazol-1-ylethyl)-3-methylbenzamide
CID 112705775
4-amino-3-methoxy-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzamide
CID 89186326
N-(3-imidazol-1-ylpropyl)-4-methoxy-3-prop-2-enylbenzamide
CID 21173424

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-imidazol-1-ylethyl)-3-methoxybenzamide?
The IUPAC name of 4-amino-N-(2-imidazol-1-ylethyl)-3-methoxybenzamide (CID 104782700) is 4-amino-N-(2-imidazol-1-ylethyl)-3-methoxybenzamide.
What is the SMILES notation for 4-amino-N-(2-imidazol-1-ylethyl)-3-methoxybenzamide?
The canonical SMILES for 4-amino-N-(2-imidazol-1-ylethyl)-3-methoxybenzamide is COc1cc(C(=O)NCCn2ccnc2)ccc1N.
What is the InChIKey of 4-amino-N-(2-imidazol-1-ylethyl)-3-methoxybenzamide?
The InChIKey is BCTJHCMIJAKVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-19-12-8-10(2-3-11(12)14)13(18)16-5-7-17-6-4-15-9-17/h2-4,6,8-9H,5,7,14H2,1H3,(H,16,18).
What are the key properties of 4-amino-N-(2-imidazol-1-ylethyl)-3-methoxybenzamide?
4-amino-N-(2-imidazol-1-ylethyl)-3-methoxybenzamide has a molecular weight of 260.30 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-imidazol-1-ylethyl)-3-methoxybenzamide is sourced from PubChem (CID 104782700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).