N-[3-bromo-4-(1H-imidazol-2-ylmethylamino)phenyl]acetamide

C12H13BrN4O — CID 84593207

IUPACN-[3-bromo-4-(1H-imidazol-2-ylmethylamino)phenyl]acetamide
SMILESCC(=O)Nc1ccc(NCc2ncc[nH]2)c(Br)c1
InChIInChI=1S/C12H13BrN4O/c1-8(18)17-9-2-3-11(10(13)6-9)16-7-12-14-4-5-15-12/h2-6,16H,7H2,1H3,(H,14,15)(H,17,18)
InChIKeyJZYQJADDWQKMJJ-UHFFFAOYSA-N
MW309.17 g/mol
LogP2.74
Rot. Bonds4

About N-[3-bromo-4-(1H-imidazol-2-ylmethylamino)phenyl]acetamide

N-[3-bromo-4-(1H-imidazol-2-ylmethylamino)phenyl]acetamide (PubChem CID 84593207) has the molecular formula C12H13BrN4O and a molecular weight of 309.17 g/mol. Its IUPAC name is N-[3-bromo-4-(1H-imidazol-2-ylmethylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-bromo-4-(1H-imidazol-2-ylmethylamino)phenyl]acetamide
PubChem CID84593207
Molecular FormulaC12H13BrN4O
Molecular Weight309.17 g/mol
Exact Mass308.03
IUPAC NameN-[3-bromo-4-(1H-imidazol-2-ylmethylamino)phenyl]acetamide
SMILESCC(=O)Nc1ccc(NCc2ncc[nH]2)c(Br)c1
InChIInChI=1S/C12H13BrN4O/c1-8(18)17-9-2-3-11(10(13)6-9)16-7-12-14-4-5-15-12/h2-6,16H,7H2,1H3,(H,14,15)(H,17,18)
InChIKeyJZYQJADDWQKMJJ-UHFFFAOYSA-N
XLogP2.74
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.17
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 54976515
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3-bromo-N-(1H-imidazol-2-ylmethyl)-4-propan-2-yloxyaniline
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CID 107239900
N-(1H-imidazol-2-ylmethyl)-2,4-dimethoxyaniline
CID 54976157
N-[4-[(2-bromo-4-chloroanilino)methyl]phenyl]acetamide
CID 81264226
2-(4-acetamidophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]acetamide
CID 115620125
3-bromo-2-fluoro-N-(1H-imidazol-2-ylmethyl)aniline
CID 171673482
N-ethyl-3-(1H-imidazol-2-ylmethylamino)benzamide
CID 54976609
N-(1H-imidazol-2-ylmethyl)-4-propylsulfonylaniline
CID 64530090
4-bromo-5-fluoro-1-N-(1H-imidazol-2-ylmethyl)benzene-1,2-diamine
CID 66112517
2-acetamido-N-(1H-imidazol-2-ylmethyl)acetamide
CID 64531448

Frequently Asked Questions

What is the IUPAC name of N-[3-bromo-4-(1H-imidazol-2-ylmethylamino)phenyl]acetamide?
The IUPAC name of N-[3-bromo-4-(1H-imidazol-2-ylmethylamino)phenyl]acetamide (CID 84593207) is N-[3-bromo-4-(1H-imidazol-2-ylmethylamino)phenyl]acetamide.
What is the SMILES notation for N-[3-bromo-4-(1H-imidazol-2-ylmethylamino)phenyl]acetamide?
The canonical SMILES for N-[3-bromo-4-(1H-imidazol-2-ylmethylamino)phenyl]acetamide is CC(=O)Nc1ccc(NCc2ncc[nH]2)c(Br)c1.
What is the InChIKey of N-[3-bromo-4-(1H-imidazol-2-ylmethylamino)phenyl]acetamide?
The InChIKey is JZYQJADDWQKMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4O/c1-8(18)17-9-2-3-11(10(13)6-9)16-7-12-14-4-5-15-12/h2-6,16H,7H2,1H3,(H,14,15)(H,17,18).
What are the key properties of N-[3-bromo-4-(1H-imidazol-2-ylmethylamino)phenyl]acetamide?
N-[3-bromo-4-(1H-imidazol-2-ylmethylamino)phenyl]acetamide has a molecular weight of 309.17 g/mol, XLogP of 2.74, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-bromo-4-(1H-imidazol-2-ylmethylamino)phenyl]acetamide is sourced from PubChem (CID 84593207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).