4-amino-N-(1H-imidazol-5-ylmethyl)-3-methoxybenzamide

C12H14N4O2 — CID 104783039

IUPAC4-amino-N-(1H-imidazol-5-ylmethyl)-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCc2cnc[nH]2)ccc1N
InChIInChI=1S/C12H14N4O2/c1-18-11-4-8(2-3-10(11)13)12(17)15-6-9-5-14-7-16-9/h2-5,7H,6,13H2,1H3,(H,14,16)(H,15,17)
InChIKeyDBSFLTNXYMHHAM-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.93
Rot. Bonds4

About 4-amino-N-(1H-imidazol-5-ylmethyl)-3-methoxybenzamide

4-amino-N-(1H-imidazol-5-ylmethyl)-3-methoxybenzamide (PubChem CID 104783039) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 4-amino-N-(1H-imidazol-5-ylmethyl)-3-methoxybenzamide.

Molecular Properties

Compound Name4-amino-N-(1H-imidazol-5-ylmethyl)-3-methoxybenzamide
PubChem CID104783039
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name4-amino-N-(1H-imidazol-5-ylmethyl)-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCc2cnc[nH]2)ccc1N
InChIInChI=1S/C12H14N4O2/c1-18-11-4-8(2-3-10(11)13)12(17)15-6-9-5-14-7-16-9/h2-5,7H,6,13H2,1H3,(H,14,16)(H,15,17)
InChIKeyDBSFLTNXYMHHAM-UHFFFAOYSA-N
XLogP0.93
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[(4-bromophenyl)methyl]-3-methoxybenzamide
CID 104782310
2-bromo-N-(1H-imidazol-5-ylmethyl)pyridine-4-carboxamide
CID 103755502
4-amino-3-methoxy-N-propylbenzamide
CID 67095444
3-bromo-4-fluoro-N-(1H-imidazol-5-ylmethyl)benzamide
CID 103725236
4-amino-3-methoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 89340281
4-amino-N-(2-hydroxy-2-methylpropyl)-3-methoxybenzamide
CID 104783008
4-amino-N-(3-aminopropyl)-3-methoxybenzamide
CID 89121865
methyl 3-[(4-amino-3-methoxybenzoyl)amino]propanoate
CID 104782478
3-amino-4-methoxy-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 61139806
4-amino-3-methoxy-N-(2-pyridin-3-ylethyl)benzamide
CID 104782485
4-amino-3-methoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 104783069
methyl 3-[(4-amino-3-methoxybenzoyl)amino]-2-hydroxypropanoate
CID 107211629

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1H-imidazol-5-ylmethyl)-3-methoxybenzamide?
The IUPAC name of 4-amino-N-(1H-imidazol-5-ylmethyl)-3-methoxybenzamide (CID 104783039) is 4-amino-N-(1H-imidazol-5-ylmethyl)-3-methoxybenzamide.
What is the SMILES notation for 4-amino-N-(1H-imidazol-5-ylmethyl)-3-methoxybenzamide?
The canonical SMILES for 4-amino-N-(1H-imidazol-5-ylmethyl)-3-methoxybenzamide is COc1cc(C(=O)NCc2cnc[nH]2)ccc1N.
What is the InChIKey of 4-amino-N-(1H-imidazol-5-ylmethyl)-3-methoxybenzamide?
The InChIKey is DBSFLTNXYMHHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-18-11-4-8(2-3-10(11)13)12(17)15-6-9-5-14-7-16-9/h2-5,7H,6,13H2,1H3,(H,14,16)(H,15,17).
What are the key properties of 4-amino-N-(1H-imidazol-5-ylmethyl)-3-methoxybenzamide?
4-amino-N-(1H-imidazol-5-ylmethyl)-3-methoxybenzamide has a molecular weight of 246.27 g/mol, XLogP of 0.93, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1H-imidazol-5-ylmethyl)-3-methoxybenzamide is sourced from PubChem (CID 104783039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).