N-(4-bromophenyl)-2-[2-(ethylaminomethyl)imidazol-1-yl]acetamide

C14H17BrN4O — CID 62223377

IUPACN-(4-bromophenyl)-2-[2-(ethylaminomethyl)imidazol-1-yl]acetamide
SMILESCCNCc1nccn1CC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C14H17BrN4O/c1-2-16-9-13-17-7-8-19(13)10-14(20)18-12-5-3-11(15)4-6-12/h3-8,16H,2,9-10H2,1H3,(H,18,20)
InChIKeyTWSOVSKSQFIJJK-UHFFFAOYSA-N
MW337.22 g/mol
LogP2.39
Rot. Bonds6

About N-(4-bromophenyl)-2-[2-(ethylaminomethyl)imidazol-1-yl]acetamide

N-(4-bromophenyl)-2-[2-(ethylaminomethyl)imidazol-1-yl]acetamide (PubChem CID 62223377) has the molecular formula C14H17BrN4O and a molecular weight of 337.22 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[2-(ethylaminomethyl)imidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[2-(ethylaminomethyl)imidazol-1-yl]acetamide
PubChem CID62223377
Molecular FormulaC14H17BrN4O
Molecular Weight337.22 g/mol
Exact Mass336.06
IUPAC NameN-(4-bromophenyl)-2-[2-(ethylaminomethyl)imidazol-1-yl]acetamide
SMILESCCNCc1nccn1CC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C14H17BrN4O/c1-2-16-9-13-17-7-8-19(13)10-14(20)18-12-5-3-11(15)4-6-12/h3-8,16H,2,9-10H2,1H3,(H,18,20)
InChIKeyTWSOVSKSQFIJJK-UHFFFAOYSA-N
XLogP2.39
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[2-(ethylaminomethyl)imidazol-1-yl]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[2-(ethylaminomethyl)imidazol-1-yl]acetamide (CID 62223377) is N-(4-bromophenyl)-2-[2-(ethylaminomethyl)imidazol-1-yl]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[2-(ethylaminomethyl)imidazol-1-yl]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[2-(ethylaminomethyl)imidazol-1-yl]acetamide is CCNCc1nccn1CC(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-[2-(ethylaminomethyl)imidazol-1-yl]acetamide?
The InChIKey is TWSOVSKSQFIJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4O/c1-2-16-9-13-17-7-8-19(13)10-14(20)18-12-5-3-11(15)4-6-12/h3-8,16H,2,9-10H2,1H3,(H,18,20).
What are the key properties of N-(4-bromophenyl)-2-[2-(ethylaminomethyl)imidazol-1-yl]acetamide?
N-(4-bromophenyl)-2-[2-(ethylaminomethyl)imidazol-1-yl]acetamide has a molecular weight of 337.22 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[2-(ethylaminomethyl)imidazol-1-yl]acetamide is sourced from PubChem (CID 62223377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).