4-amino-N-(3-imidazol-1-ylpropyl)-3-methylbenzamide

C14H18N4O — CID 28993545

IUPAC4-amino-N-(3-imidazol-1-ylpropyl)-3-methylbenzamide
SMILESCc1cc(C(=O)NCCCn2ccnc2)ccc1N
InChIInChI=1S/C14H18N4O/c1-11-9-12(3-4-13(11)15)14(19)17-5-2-7-18-8-6-16-10-18/h3-4,6,8-10H,2,5,7,15H2,1H3,(H,17,19)
InChIKeyDOQZNLOMKRDLFZ-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.59
Rot. Bonds5

About 4-amino-N-(3-imidazol-1-ylpropyl)-3-methylbenzamide

4-amino-N-(3-imidazol-1-ylpropyl)-3-methylbenzamide (PubChem CID 28993545) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-amino-N-(3-imidazol-1-ylpropyl)-3-methylbenzamide.

Molecular Properties

Compound Name4-amino-N-(3-imidazol-1-ylpropyl)-3-methylbenzamide
PubChem CID28993545
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name4-amino-N-(3-imidazol-1-ylpropyl)-3-methylbenzamide
SMILESCc1cc(C(=O)NCCCn2ccnc2)ccc1N
InChIInChI=1S/C14H18N4O/c1-11-9-12(3-4-13(11)15)14(19)17-5-2-7-18-8-6-16-10-18/h3-4,6,8-10H,2,5,7,15H2,1H3,(H,17,19)
InChIKeyDOQZNLOMKRDLFZ-UHFFFAOYSA-N
XLogP1.59
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-(3-imidazol-1-ylpropyl)-3-methylbenzamide
CID 63212783
4-amino-N-(3-imidazol-1-ylpropyl)-3-methoxybenzamide
CID 104782388
N-(3-imidazol-1-ylpropyl)-3-iodo-4-methylbenzamide
CID 118203012
4-amino-3-fluoro-N-(4-imidazol-1-ylbutyl)benzamide
CID 62681162
4-bromo-N-(2-imidazol-1-ylethyl)-3-methylbenzamide
CID 112705775
N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 17395173
N-(3-imidazol-1-ylpropyl)-1-methylpyridin-1-ium-4-carboxamide
CID 39847983
N-(3-imidazol-1-ylpropyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 2994069
4-amino-N-(2-imidazol-1-ylethyl)-3-methoxybenzamide
CID 104782700
4-fluoro-N-(3-imidazol-1-ylpropyl)benzamide chloride
CID 53351812
N-(2-imidazol-1-ylethyl)-3-methyl-4-(methylamino)benzamide
CID 63213649
N-(5-imidazol-1-ylpentyl)-3-methylbenzamide
CID 110441440

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-imidazol-1-ylpropyl)-3-methylbenzamide?
The IUPAC name of 4-amino-N-(3-imidazol-1-ylpropyl)-3-methylbenzamide (CID 28993545) is 4-amino-N-(3-imidazol-1-ylpropyl)-3-methylbenzamide.
What is the SMILES notation for 4-amino-N-(3-imidazol-1-ylpropyl)-3-methylbenzamide?
The canonical SMILES for 4-amino-N-(3-imidazol-1-ylpropyl)-3-methylbenzamide is Cc1cc(C(=O)NCCCn2ccnc2)ccc1N.
What is the InChIKey of 4-amino-N-(3-imidazol-1-ylpropyl)-3-methylbenzamide?
The InChIKey is DOQZNLOMKRDLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-11-9-12(3-4-13(11)15)14(19)17-5-2-7-18-8-6-16-10-18/h3-4,6,8-10H,2,5,7,15H2,1H3,(H,17,19).
What are the key properties of 4-amino-N-(3-imidazol-1-ylpropyl)-3-methylbenzamide?
4-amino-N-(3-imidazol-1-ylpropyl)-3-methylbenzamide has a molecular weight of 258.32 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-imidazol-1-ylpropyl)-3-methylbenzamide is sourced from PubChem (CID 28993545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).