N-[2-(2-bromophenyl)ethyl]-2-imidazol-1-ylpropanamide

C14H16BrN3O — CID 49052603

IUPACN-[2-(2-bromophenyl)ethyl]-2-imidazol-1-ylpropanamide
SMILESCC(C(=O)NCCc1ccccc1Br)n1ccnc1
InChIInChI=1S/C14H16BrN3O/c1-11(18-9-8-16-10-18)14(19)17-7-6-12-4-2-3-5-13(12)15/h2-5,8-11H,6-7H2,1H3,(H,17,19)
InChIKeyBJUCRAMWXWSGTN-UHFFFAOYSA-N
MW322.21 g/mol
LogP2.57
Rot. Bonds5

About N-[2-(2-bromophenyl)ethyl]-2-imidazol-1-ylpropanamide

N-[2-(2-bromophenyl)ethyl]-2-imidazol-1-ylpropanamide (PubChem CID 49052603) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is N-[2-(2-bromophenyl)ethyl]-2-imidazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[2-(2-bromophenyl)ethyl]-2-imidazol-1-ylpropanamide
PubChem CID49052603
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC NameN-[2-(2-bromophenyl)ethyl]-2-imidazol-1-ylpropanamide
SMILESCC(C(=O)NCCc1ccccc1Br)n1ccnc1
InChIInChI=1S/C14H16BrN3O/c1-11(18-9-8-16-10-18)14(19)17-7-6-12-4-2-3-5-13(12)15/h2-5,8-11H,6-7H2,1H3,(H,17,19)
InChIKeyBJUCRAMWXWSGTN-UHFFFAOYSA-N
XLogP2.57
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(2-bromophenyl)ethyl]-2-imidazol-1-ylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-imidazol-1-yl-N-[2-(2-phenylphenoxy)ethyl]propanamide
CID 94817504
(2S)-N-[2-(2-bromophenyl)ethyl]-2-(carbamoylamino)propanamide
CID 95312924
(2R)-2-imidazol-1-yl-N-[(1-phenylcyclopropyl)methyl]propanamide
CID 94117739
4-amino-N-[2-(2-bromophenyl)ethyl]-2-methylbutanamide
CID 115156135
2-imidazol-1-yl-1-phenylpropan-1-one
CID 13282605
N-(2-phenylethyl)-2-pyrrol-1-ylpropanamide
CID 17086628
1-[2-(2-bromophenyl)ethyl]-3-[(E)-3-methylbut-1-enyl]urea
CID 108911211
1-[2-(2-bromophenyl)ethyl]-3-[2-(2-methylphenyl)ethyl]urea
CID 52797116
(2S)-2-imidazol-1-yl-N-[[1-[[(1S)-1-phenylethyl]amino]cyclopentyl]methyl]propanamide
CID 95618458
methyl 4-[2-(2-bromophenyl)ethylamino]-4-oxobutanoate
CID 115174690
N-[2-(2-bromophenyl)ethyl]-3-methylsulfanylpropanamide
CID 71935204
(2S)-2-imidazol-1-yl-N-methyl-N-[(2-phenylphenyl)methyl]propanamide
CID 95284747

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromophenyl)ethyl]-2-imidazol-1-ylpropanamide?
The IUPAC name of N-[2-(2-bromophenyl)ethyl]-2-imidazol-1-ylpropanamide (CID 49052603) is N-[2-(2-bromophenyl)ethyl]-2-imidazol-1-ylpropanamide.
What is the SMILES notation for N-[2-(2-bromophenyl)ethyl]-2-imidazol-1-ylpropanamide?
The canonical SMILES for N-[2-(2-bromophenyl)ethyl]-2-imidazol-1-ylpropanamide is CC(C(=O)NCCc1ccccc1Br)n1ccnc1.
What is the InChIKey of N-[2-(2-bromophenyl)ethyl]-2-imidazol-1-ylpropanamide?
The InChIKey is BJUCRAMWXWSGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c1-11(18-9-8-16-10-18)14(19)17-7-6-12-4-2-3-5-13(12)15/h2-5,8-11H,6-7H2,1H3,(H,17,19).
What are the key properties of N-[2-(2-bromophenyl)ethyl]-2-imidazol-1-ylpropanamide?
N-[2-(2-bromophenyl)ethyl]-2-imidazol-1-ylpropanamide has a molecular weight of 322.21 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromophenyl)ethyl]-2-imidazol-1-ylpropanamide is sourced from PubChem (CID 49052603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).