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

C12H12BrFN4O — CID 107496029

IUPAC1-(2-aminoethyl)-N-(5-bromo-2-fluorophenyl)imidazole-4-carboxamide
SMILESNCCn1cnc(C(=O)Nc2cc(Br)ccc2F)c1
InChIInChI=1S/C12H12BrFN4O/c13-8-1-2-9(14)10(5-8)17-12(19)11-6-18(4-3-15)7-16-11/h1-2,5-7H,3-4,15H2,(H,17,19)
InChIKeyFXWXAVPKLFGWDV-UHFFFAOYSA-N
MW327.16 g/mol
LogP2.00
Rot. Bonds4

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

1-(2-aminoethyl)-N-(5-bromo-2-fluorophenyl)imidazole-4-carboxamide (PubChem CID 107496029) has the molecular formula C12H12BrFN4O and a molecular weight of 327.16 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-(5-bromo-2-fluorophenyl)imidazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-(5-bromo-2-fluorophenyl)imidazole-4-carboxamide
PubChem CID107496029
Molecular FormulaC12H12BrFN4O
Molecular Weight327.16 g/mol
Exact Mass326.02
IUPAC Name1-(2-aminoethyl)-N-(5-bromo-2-fluorophenyl)imidazole-4-carboxamide
SMILESNCCn1cnc(C(=O)Nc2cc(Br)ccc2F)c1
InChIInChI=1S/C12H12BrFN4O/c13-8-1-2-9(14)10(5-8)17-12(19)11-6-18(4-3-15)7-16-11/h1-2,5-7H,3-4,15H2,(H,17,19)
InChIKeyFXWXAVPKLFGWDV-UHFFFAOYSA-N
XLogP2.00
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.16
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]-4-fluorobenzoic acid
CID 107496656
1-(2-aminoethyl)-N-(5-bromo-2-methoxyphenyl)imidazole-4-carboxamide
CID 107497941
1-(2-aminoethyl)-N-[(5-bromo-2-fluorophenyl)methyl]imidazole-4-carboxamide
CID 107497846
1-(2-aminoethyl)-N-(4-bromo-3-fluorophenyl)imidazole-4-carboxamide
CID 107499002
1-(2-aminoethyl)-N-(3-fluoro-4-pyridinyl)imidazole-4-carboxamide
CID 107595032
1-(2-aminoethyl)-N-(3-bromo-5-methylphenyl)imidazole-4-carboxamide
CID 107583520
1-(2-aminoethyl)-N-(3-chloro-5-fluorophenyl)imidazole-4-carboxamide
CID 107499984
1-(2-aminoethyl)-N-(5-chloro-2-cyanophenyl)imidazole-4-carboxamide
CID 107496291
3-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]-4-hydroxybenzoic acid
CID 107499979
1-(2-aminoethyl)-N-(3-fluoro-4-methylphenyl)imidazole-4-carboxamide
CID 107495701
1-(2-aminoethyl)-N-(3-bromo-4-methylphenyl)imidazole-4-carboxamide
CID 84605534
1-(2-aminoethyl)-N-(4-iodophenyl)imidazole-4-carboxamide
CID 107495861

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-(5-bromo-2-fluorophenyl)imidazole-4-carboxamide?
The IUPAC name of 1-(2-aminoethyl)-N-(5-bromo-2-fluorophenyl)imidazole-4-carboxamide (CID 107496029) is 1-(2-aminoethyl)-N-(5-bromo-2-fluorophenyl)imidazole-4-carboxamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-(5-bromo-2-fluorophenyl)imidazole-4-carboxamide?
The canonical SMILES for 1-(2-aminoethyl)-N-(5-bromo-2-fluorophenyl)imidazole-4-carboxamide is NCCn1cnc(C(=O)Nc2cc(Br)ccc2F)c1.
What is the InChIKey of 1-(2-aminoethyl)-N-(5-bromo-2-fluorophenyl)imidazole-4-carboxamide?
The InChIKey is FXWXAVPKLFGWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFN4O/c13-8-1-2-9(14)10(5-8)17-12(19)11-6-18(4-3-15)7-16-11/h1-2,5-7H,3-4,15H2,(H,17,19).
What are the key properties of 1-(2-aminoethyl)-N-(5-bromo-2-fluorophenyl)imidazole-4-carboxamide?
1-(2-aminoethyl)-N-(5-bromo-2-fluorophenyl)imidazole-4-carboxamide has a molecular weight of 327.16 g/mol, XLogP of 2.00, 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-(5-bromo-2-fluorophenyl)imidazole-4-carboxamide is sourced from PubChem (CID 107496029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).