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

C13H15BrN4O — CID 84605534

IUPAC1-(2-aminoethyl)-N-(3-bromo-4-methylphenyl)imidazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2cn(CCN)cn2)cc1Br
InChIInChI=1S/C13H15BrN4O/c1-9-2-3-10(6-11(9)14)17-13(19)12-7-18(5-4-15)8-16-12/h2-3,6-8H,4-5,15H2,1H3,(H,17,19)
InChIKeyBKJPEUZTUYIZRS-UHFFFAOYSA-N
MW323.19 g/mol
LogP2.17
Rot. Bonds4

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

1-(2-aminoethyl)-N-(3-bromo-4-methylphenyl)imidazole-4-carboxamide (PubChem CID 84605534) has the molecular formula C13H15BrN4O and a molecular weight of 323.19 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-(3-bromo-4-methylphenyl)imidazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-(3-bromo-4-methylphenyl)imidazole-4-carboxamide
PubChem CID84605534
Molecular FormulaC13H15BrN4O
Molecular Weight323.19 g/mol
Exact Mass322.04
IUPAC Name1-(2-aminoethyl)-N-(3-bromo-4-methylphenyl)imidazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2cn(CCN)cn2)cc1Br
InChIInChI=1S/C13H15BrN4O/c1-9-2-3-10(6-11(9)14)17-13(19)12-7-18(5-4-15)8-16-12/h2-3,6-8H,4-5,15H2,1H3,(H,17,19)
InChIKeyBKJPEUZTUYIZRS-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-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-(4-fluoro-3-methylphenyl)imidazole-4-carboxamide
CID 107498340
1-(2-aminoethyl)-N-(3-bromo-5-methylphenyl)imidazole-4-carboxamide
CID 107583520
1-(2-aminoethyl)-N-(4-iodophenyl)imidazole-4-carboxamide
CID 107495861
5-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]-2-hydroxybenzoic acid
CID 107497446
1-(2-aminoethyl)-N-(3-carbamoylphenyl)imidazole-4-carboxamide
CID 107497777
1-(2-aminoethyl)-N-[4-(dimethylamino)phenyl]imidazole-4-carboxamide
CID 107496124
1-(2-aminoethyl)-N-(2-chloro-4-methyl-3-pyridinyl)imidazole-4-carboxamide
CID 107499014
1-(2-aminoethyl)-N-(4-propoxyphenyl)imidazole-4-carboxamide
CID 107498222
1-(2-aminoethyl)-N-(4-butylphenyl)imidazole-4-carboxamide
CID 107495955
1-(2-aminoethyl)-N-thiophen-3-ylimidazole-4-carboxamide
CID 107499123

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-(3-bromo-4-methylphenyl)imidazole-4-carboxamide?
The IUPAC name of 1-(2-aminoethyl)-N-(3-bromo-4-methylphenyl)imidazole-4-carboxamide (CID 84605534) is 1-(2-aminoethyl)-N-(3-bromo-4-methylphenyl)imidazole-4-carboxamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-(3-bromo-4-methylphenyl)imidazole-4-carboxamide?
The canonical SMILES for 1-(2-aminoethyl)-N-(3-bromo-4-methylphenyl)imidazole-4-carboxamide is Cc1ccc(NC(=O)c2cn(CCN)cn2)cc1Br.
What is the InChIKey of 1-(2-aminoethyl)-N-(3-bromo-4-methylphenyl)imidazole-4-carboxamide?
The InChIKey is BKJPEUZTUYIZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4O/c1-9-2-3-10(6-11(9)14)17-13(19)12-7-18(5-4-15)8-16-12/h2-3,6-8H,4-5,15H2,1H3,(H,17,19).
What are the key properties of 1-(2-aminoethyl)-N-(3-bromo-4-methylphenyl)imidazole-4-carboxamide?
1-(2-aminoethyl)-N-(3-bromo-4-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-4-methylphenyl)imidazole-4-carboxamide is sourced from PubChem (CID 84605534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).