N-(4-bromo-2-methylphenyl)-2-[1H-imidazol-5-ylmethyl(methyl)amino]acetamide

C14H17BrN4O — CID 122157794

IUPACN-(4-bromo-2-methylphenyl)-2-[1H-imidazol-5-ylmethyl(methyl)amino]acetamide
SMILESCc1cc(Br)ccc1NC(=O)CN(C)Cc1cnc[nH]1
InChIInChI=1S/C14H17BrN4O/c1-10-5-11(15)3-4-13(10)18-14(20)8-19(2)7-12-6-16-9-17-12/h3-6,9H,7-8H2,1-2H3,(H,16,17)(H,18,20)
InChIKeyXDHGWLLWPYVBFT-UHFFFAOYSA-N
MW337.22 g/mol
LogP2.55
Rot. Bonds5

About N-(4-bromo-2-methylphenyl)-2-[1H-imidazol-5-ylmethyl(methyl)amino]acetamide

N-(4-bromo-2-methylphenyl)-2-[1H-imidazol-5-ylmethyl(methyl)amino]acetamide (PubChem CID 122157794) has the molecular formula C14H17BrN4O and a molecular weight of 337.22 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-2-[1H-imidazol-5-ylmethyl(methyl)amino]acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-2-[1H-imidazol-5-ylmethyl(methyl)amino]acetamide
PubChem CID122157794
Molecular FormulaC14H17BrN4O
Molecular Weight337.22 g/mol
Exact Mass336.06
IUPAC NameN-(4-bromo-2-methylphenyl)-2-[1H-imidazol-5-ylmethyl(methyl)amino]acetamide
SMILESCc1cc(Br)ccc1NC(=O)CN(C)Cc1cnc[nH]1
InChIInChI=1S/C14H17BrN4O/c1-10-5-11(15)3-4-13(10)18-14(20)8-19(2)7-12-6-16-9-17-12/h3-6,9H,7-8H2,1-2H3,(H,16,17)(H,18,20)
InChIKeyXDHGWLLWPYVBFT-UHFFFAOYSA-N
XLogP2.55
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2-methylphenyl)-2-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide
CID 8790419
2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-(2-methylpropyl)acetamide
CID 9303536
N-(4-bromo-2-methylphenyl)-2-[[2-(2-fluoroanilino)-2-oxoethyl]-methylamino]acetamide
CID 9303478
3-[benzyl(methyl)amino]-N-(4-bromo-2-methylphenyl)propanamide
CID 109020660
N-(4-bromo-2-methylphenyl)-2-[methyl-(2-methylsulfanylacetyl)amino]acetamide
CID 17407334
2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 31378015
2-[(3-bromophenyl)methyl-methylamino]-N-(2,4-dimethylphenyl)acetamide
CID 171702396
4-[[2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide
CID 31378107
methyl 3-[[2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]acetyl]amino]-4-methylbenzoate
CID 32701380
N-(4-bromo-2-methylphenyl)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetamide
CID 31378293
N-(4-bromo-2-methylphenyl)-2-[[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]-methylamino]acetamide
CID 46802089
2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-2-methylpropanoic acid
CID 62821107

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-2-[1H-imidazol-5-ylmethyl(methyl)amino]acetamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-2-[1H-imidazol-5-ylmethyl(methyl)amino]acetamide (CID 122157794) is N-(4-bromo-2-methylphenyl)-2-[1H-imidazol-5-ylmethyl(methyl)amino]acetamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-2-[1H-imidazol-5-ylmethyl(methyl)amino]acetamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-2-[1H-imidazol-5-ylmethyl(methyl)amino]acetamide is Cc1cc(Br)ccc1NC(=O)CN(C)Cc1cnc[nH]1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-2-[1H-imidazol-5-ylmethyl(methyl)amino]acetamide?
The InChIKey is XDHGWLLWPYVBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4O/c1-10-5-11(15)3-4-13(10)18-14(20)8-19(2)7-12-6-16-9-17-12/h3-6,9H,7-8H2,1-2H3,(H,16,17)(H,18,20).
What are the key properties of N-(4-bromo-2-methylphenyl)-2-[1H-imidazol-5-ylmethyl(methyl)amino]acetamide?
N-(4-bromo-2-methylphenyl)-2-[1H-imidazol-5-ylmethyl(methyl)amino]acetamide has a molecular weight of 337.22 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-2-[1H-imidazol-5-ylmethyl(methyl)amino]acetamide is sourced from PubChem (CID 122157794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).