N-(3-bromophenyl)-2-[2-(propylaminomethyl)imidazol-1-yl]acetamide

C15H19BrN4O — CID 62221444

IUPACN-(3-bromophenyl)-2-[2-(propylaminomethyl)imidazol-1-yl]acetamide
SMILESCCCNCc1nccn1CC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C15H19BrN4O/c1-2-6-17-10-14-18-7-8-20(14)11-15(21)19-13-5-3-4-12(16)9-13/h3-5,7-9,17H,2,6,10-11H2,1H3,(H,19,21)
InChIKeyBVKBFAGDOSKCFX-UHFFFAOYSA-N
MW351.25 g/mol
LogP2.78
Rot. Bonds7

About N-(3-bromophenyl)-2-[2-(propylaminomethyl)imidazol-1-yl]acetamide

N-(3-bromophenyl)-2-[2-(propylaminomethyl)imidazol-1-yl]acetamide (PubChem CID 62221444) has the molecular formula C15H19BrN4O and a molecular weight of 351.25 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-[2-(propylaminomethyl)imidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-[2-(propylaminomethyl)imidazol-1-yl]acetamide
PubChem CID62221444
Molecular FormulaC15H19BrN4O
Molecular Weight351.25 g/mol
Exact Mass350.07
IUPAC NameN-(3-bromophenyl)-2-[2-(propylaminomethyl)imidazol-1-yl]acetamide
SMILESCCCNCc1nccn1CC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C15H19BrN4O/c1-2-6-17-10-14-18-7-8-20(14)11-15(21)19-13-5-3-4-12(16)9-13/h3-5,7-9,17H,2,6,10-11H2,1H3,(H,19,21)
InChIKeyBVKBFAGDOSKCFX-UHFFFAOYSA-N
XLogP2.78
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.25
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromophenyl)-2-[2-(propylaminomethyl)imidazol-1-yl]acetamide
CID 62221270
N-(2-bromophenyl)-2-[2-(propylaminomethyl)imidazol-1-yl]acetamide
CID 62223923
N-(4-bromophenyl)-2-[2-(ethylaminomethyl)imidazol-1-yl]acetamide
CID 62223377
N-propyl-2-[2-(propylaminomethyl)imidazol-1-yl]acetamide
CID 55048710
N-(3-bromophenyl)-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide
CID 66402731
2-[2-(ethylaminomethyl)imidazol-1-yl]-N-(4-fluorophenyl)acetamide
CID 62223733
N-(3-bromophenyl)-2-(4-methyl-2-oxo-1-pyridinyl)acetamide
CID 115614106
2-[2-(hydroxymethyl)imidazol-1-yl]-N-phenylacetamide
CID 62221393
2-(3-chloro-2-oxopyrazin-1-yl)-N-(3-methylphenyl)acetamide
CID 114561806
N-(4-bromo-2-fluorophenyl)-2-(2-ethylimidazol-1-yl)acetamide
CID 75433251
N-(3-bromophenyl)-3-(butylamino)propanamide
CID 109012514
N-(3-bromophenyl)-2-(3-methylbutylamino)acetamide
CID 28576518

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-[2-(propylaminomethyl)imidazol-1-yl]acetamide?
The IUPAC name of N-(3-bromophenyl)-2-[2-(propylaminomethyl)imidazol-1-yl]acetamide (CID 62221444) is N-(3-bromophenyl)-2-[2-(propylaminomethyl)imidazol-1-yl]acetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-[2-(propylaminomethyl)imidazol-1-yl]acetamide?
The canonical SMILES for N-(3-bromophenyl)-2-[2-(propylaminomethyl)imidazol-1-yl]acetamide is CCCNCc1nccn1CC(=O)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-2-[2-(propylaminomethyl)imidazol-1-yl]acetamide?
The InChIKey is BVKBFAGDOSKCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN4O/c1-2-6-17-10-14-18-7-8-20(14)11-15(21)19-13-5-3-4-12(16)9-13/h3-5,7-9,17H,2,6,10-11H2,1H3,(H,19,21).
What are the key properties of N-(3-bromophenyl)-2-[2-(propylaminomethyl)imidazol-1-yl]acetamide?
N-(3-bromophenyl)-2-[2-(propylaminomethyl)imidazol-1-yl]acetamide has a molecular weight of 351.25 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-[2-(propylaminomethyl)imidazol-1-yl]acetamide is sourced from PubChem (CID 62221444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).