1-(2-aminoethyl)-N-(3-bromo-5-methylphenyl)imidazole-4-carboxamide

C13H15BrN4O — CID 107583520

IUPAC1-(2-aminoethyl)-N-(3-bromo-5-methylphenyl)imidazole-4-carboxamide
SMILESCc1cc(Br)cc(NC(=O)c2cn(CCN)cn2)c1
InChIInChI=1S/C13H15BrN4O/c1-9-4-10(14)6-11(5-9)17-13(19)12-7-18(3-2-15)8-16-12/h4-8H,2-3,15H2,1H3,(H,17,19)
InChIKeyIKJSIFVMYMQRJX-UHFFFAOYSA-N
MW323.19 g/mol
LogP2.17
Rot. Bonds4

About 1-(2-aminoethyl)-N-(3-bromo-5-methylphenyl)imidazole-4-carboxamide

1-(2-aminoethyl)-N-(3-bromo-5-methylphenyl)imidazole-4-carboxamide (PubChem CID 107583520) has the molecular formula C13H15BrN4O and a molecular weight of 323.19 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-(3-bromo-5-methylphenyl)imidazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-(3-bromo-5-methylphenyl)imidazole-4-carboxamide
PubChem CID107583520
Molecular FormulaC13H15BrN4O
Molecular Weight323.19 g/mol
Exact Mass322.04
IUPAC Name1-(2-aminoethyl)-N-(3-bromo-5-methylphenyl)imidazole-4-carboxamide
SMILESCc1cc(Br)cc(NC(=O)c2cn(CCN)cn2)c1
InChIInChI=1S/C13H15BrN4O/c1-9-4-10(14)6-11(5-9)17-13(19)12-7-18(3-2-15)8-16-12/h4-8H,2-3,15H2,1H3,(H,17,19)
InChIKeyIKJSIFVMYMQRJX-UHFFFAOYSA-N
XLogP2.17
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-aminoethyl)-N-(3-bromo-4-methylphenyl)imidazole-4-carboxamide
CID 84605534
1-(2-aminoethyl)-N-(4-fluoro-3-methylphenyl)imidazole-4-carboxamide
CID 107498340
1-(2-aminoethyl)-N-(3-fluoro-4-methylphenyl)imidazole-4-carboxamide
CID 107495701
1-(2-aminoethyl)-N-(4-bromo-3-fluorophenyl)imidazole-4-carboxamide
CID 107499002
1-(2-aminoethyl)-N-(3-chloro-5-fluorophenyl)imidazole-4-carboxamide
CID 107499984
1-(2-aminoethyl)-N-(5-bromo-2-fluorophenyl)imidazole-4-carboxamide
CID 107496029
1-(2-aminoethyl)-N-(4-iodophenyl)imidazole-4-carboxamide
CID 107495861
1-(2-aminoethyl)-N-[4-(dimethylamino)phenyl]imidazole-4-carboxamide
CID 107496124
1-(2-aminoethyl)-N-(3-carbamoylphenyl)imidazole-4-carboxamide
CID 107497777
1-(2-aminoethyl)-N-(5-bromo-2-methoxyphenyl)imidazole-4-carboxamide
CID 107497941
1-(2-aminoethyl)-N-thiophen-3-ylimidazole-4-carboxamide
CID 107499123
1-(2-aminoethyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)imidazole-4-carboxamide
CID 107499798

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-(3-bromo-5-methylphenyl)imidazole-4-carboxamide?
The IUPAC name of 1-(2-aminoethyl)-N-(3-bromo-5-methylphenyl)imidazole-4-carboxamide (CID 107583520) is 1-(2-aminoethyl)-N-(3-bromo-5-methylphenyl)imidazole-4-carboxamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-(3-bromo-5-methylphenyl)imidazole-4-carboxamide?
The canonical SMILES for 1-(2-aminoethyl)-N-(3-bromo-5-methylphenyl)imidazole-4-carboxamide is Cc1cc(Br)cc(NC(=O)c2cn(CCN)cn2)c1.
What is the InChIKey of 1-(2-aminoethyl)-N-(3-bromo-5-methylphenyl)imidazole-4-carboxamide?
The InChIKey is IKJSIFVMYMQRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4O/c1-9-4-10(14)6-11(5-9)17-13(19)12-7-18(3-2-15)8-16-12/h4-8H,2-3,15H2,1H3,(H,17,19).
What are the key properties of 1-(2-aminoethyl)-N-(3-bromo-5-methylphenyl)imidazole-4-carboxamide?
1-(2-aminoethyl)-N-(3-bromo-5-methylphenyl)imidazole-4-carboxamide has a molecular weight of 323.19 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-(3-bromo-5-methylphenyl)imidazole-4-carboxamide is sourced from PubChem (CID 107583520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).