N-(2-bromophenyl)-2-[(1-methylimidazol-2-yl)methylamino]acetamide

C13H15BrN4O — CID 60694560

IUPACN-(2-bromophenyl)-2-[(1-methylimidazol-2-yl)methylamino]acetamide
SMILESCn1ccnc1CNCC(=O)Nc1ccccc1Br
InChIInChI=1S/C13H15BrN4O/c1-18-7-6-16-12(18)8-15-9-13(19)17-11-5-3-2-4-10(11)14/h2-7,15H,8-9H2,1H3,(H,17,19)
InChIKeySXYGKVOVKGFYKT-UHFFFAOYSA-N
MW323.19 g/mol
LogP1.91
Rot. Bonds5

About N-(2-bromophenyl)-2-[(1-methylimidazol-2-yl)methylamino]acetamide

N-(2-bromophenyl)-2-[(1-methylimidazol-2-yl)methylamino]acetamide (PubChem CID 60694560) has the molecular formula C13H15BrN4O and a molecular weight of 323.19 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-[(1-methylimidazol-2-yl)methylamino]acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-[(1-methylimidazol-2-yl)methylamino]acetamide
PubChem CID60694560
Molecular FormulaC13H15BrN4O
Molecular Weight323.19 g/mol
Exact Mass322.04
IUPAC NameN-(2-bromophenyl)-2-[(1-methylimidazol-2-yl)methylamino]acetamide
SMILESCn1ccnc1CNCC(=O)Nc1ccccc1Br
InChIInChI=1S/C13H15BrN4O/c1-18-7-6-16-12(18)8-15-9-13(19)17-11-5-3-2-4-10(11)14/h2-7,15H,8-9H2,1H3,(H,17,19)
InChIKeySXYGKVOVKGFYKT-UHFFFAOYSA-N
XLogP1.91
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyphenyl)-2-[(1-methylimidazol-2-yl)methylamino]acetamide
CID 63295642
N-(2,6-difluorophenyl)-2-[(1-methylimidazol-2-yl)methylamino]acetamide
CID 63295828
N-(2-bromophenyl)-2-[2-(propylaminomethyl)imidazol-1-yl]acetamide
CID 62223923
N-(2-bromophenyl)-2-[(1,5-dimethylpyrazol-4-yl)methylamino]acetamide
CID 103850935
N-(2-bromophenyl)-2-[2-(hydroxymethyl)imidazol-1-yl]acetamide
CID 62221758
N-(2-bromophenyl)-2-[(3-methylphenyl)methylamino]acetamide
CID 47112206
N-(2-bromophenyl)-2-(2,2-dimethylpropylamino)acetamide
CID 61165853
N-(2-bromophenyl)-2-[(6-methoxy-3-pyridinyl)methylamino]acetamide
CID 62989583
N-(2,3-dimethylphenyl)-2-(1-methylimidazol-2-yl)acetamide
CID 110474610
N-(2-bromophenyl)-2-(1,2-oxazol-3-ylmethylamino)acetamide
CID 81177334
N-(2-bromophenyl)-2-(furan-2-ylmethylamino)acetamide
CID 2452076
N-(2-bromophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]acetamide
CID 102905582

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-[(1-methylimidazol-2-yl)methylamino]acetamide?
The IUPAC name of N-(2-bromophenyl)-2-[(1-methylimidazol-2-yl)methylamino]acetamide (CID 60694560) is N-(2-bromophenyl)-2-[(1-methylimidazol-2-yl)methylamino]acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-[(1-methylimidazol-2-yl)methylamino]acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-[(1-methylimidazol-2-yl)methylamino]acetamide is Cn1ccnc1CNCC(=O)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-2-[(1-methylimidazol-2-yl)methylamino]acetamide?
The InChIKey is SXYGKVOVKGFYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4O/c1-18-7-6-16-12(18)8-15-9-13(19)17-11-5-3-2-4-10(11)14/h2-7,15H,8-9H2,1H3,(H,17,19).
What are the key properties of N-(2-bromophenyl)-2-[(1-methylimidazol-2-yl)methylamino]acetamide?
N-(2-bromophenyl)-2-[(1-methylimidazol-2-yl)methylamino]acetamide has a molecular weight of 323.19 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-[(1-methylimidazol-2-yl)methylamino]acetamide is sourced from PubChem (CID 60694560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).