1-(2-aminoethyl)-N-(3-chloro-5-fluorophenyl)imidazole-4-carboxamide

C12H12ClFN4O — CID 107499984

IUPAC1-(2-aminoethyl)-N-(3-chloro-5-fluorophenyl)imidazole-4-carboxamide
SMILESNCCn1cnc(C(=O)Nc2cc(F)cc(Cl)c2)c1
InChIInChI=1S/C12H12ClFN4O/c13-8-3-9(14)5-10(4-8)17-12(19)11-6-18(2-1-15)7-16-11/h3-7H,1-2,15H2,(H,17,19)
InChIKeyITUNKLTVKQOGSP-UHFFFAOYSA-N
MW282.71 g/mol
LogP1.89
Rot. Bonds4

About 1-(2-aminoethyl)-N-(3-chloro-5-fluorophenyl)imidazole-4-carboxamide

1-(2-aminoethyl)-N-(3-chloro-5-fluorophenyl)imidazole-4-carboxamide (PubChem CID 107499984) has the molecular formula C12H12ClFN4O and a molecular weight of 282.71 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-(3-chloro-5-fluorophenyl)imidazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-(3-chloro-5-fluorophenyl)imidazole-4-carboxamide
PubChem CID107499984
Molecular FormulaC12H12ClFN4O
Molecular Weight282.71 g/mol
Exact Mass282.07
IUPAC Name1-(2-aminoethyl)-N-(3-chloro-5-fluorophenyl)imidazole-4-carboxamide
SMILESNCCn1cnc(C(=O)Nc2cc(F)cc(Cl)c2)c1
InChIInChI=1S/C12H12ClFN4O/c13-8-3-9(14)5-10(4-8)17-12(19)11-6-18(2-1-15)7-16-11/h3-7H,1-2,15H2,(H,17,19)
InChIKeyITUNKLTVKQOGSP-UHFFFAOYSA-N
XLogP1.89
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.71
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-aminoethyl)-N-(4-fluoro-3-methylphenyl)imidazole-4-carboxamide
CID 107498340
1-(2-aminoethyl)-N-(4-bromo-3-fluorophenyl)imidazole-4-carboxamide
CID 107499002
1-(2-aminoethyl)-N-(3-fluoro-4-methylphenyl)imidazole-4-carboxamide
CID 107495701
1-(2-aminoethyl)-N-(3-bromo-5-methylphenyl)imidazole-4-carboxamide
CID 107583520
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-(3-carbamoylphenyl)imidazole-4-carboxamide
CID 107497777
3-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]-4-fluorobenzoic acid
CID 107496656
1-(2-aminoethyl)-N-thiophen-3-ylimidazole-4-carboxamide
CID 107499123
1-(2-aminoethyl)-N-[2-(3,5-difluorophenyl)ethyl]imidazole-4-carboxamide
CID 107498288
1-(2-aminoethyl)-N-(3-bromo-4-methylphenyl)imidazole-4-carboxamide
CID 84605534
5-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]-2-hydroxybenzoic acid
CID 107497446

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-(3-chloro-5-fluorophenyl)imidazole-4-carboxamide?
The IUPAC name of 1-(2-aminoethyl)-N-(3-chloro-5-fluorophenyl)imidazole-4-carboxamide (CID 107499984) is 1-(2-aminoethyl)-N-(3-chloro-5-fluorophenyl)imidazole-4-carboxamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-(3-chloro-5-fluorophenyl)imidazole-4-carboxamide?
The canonical SMILES for 1-(2-aminoethyl)-N-(3-chloro-5-fluorophenyl)imidazole-4-carboxamide is NCCn1cnc(C(=O)Nc2cc(F)cc(Cl)c2)c1.
What is the InChIKey of 1-(2-aminoethyl)-N-(3-chloro-5-fluorophenyl)imidazole-4-carboxamide?
The InChIKey is ITUNKLTVKQOGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN4O/c13-8-3-9(14)5-10(4-8)17-12(19)11-6-18(2-1-15)7-16-11/h3-7H,1-2,15H2,(H,17,19).
What are the key properties of 1-(2-aminoethyl)-N-(3-chloro-5-fluorophenyl)imidazole-4-carboxamide?
1-(2-aminoethyl)-N-(3-chloro-5-fluorophenyl)imidazole-4-carboxamide has a molecular weight of 282.71 g/mol, XLogP of 1.89, 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-chloro-5-fluorophenyl)imidazole-4-carboxamide is sourced from PubChem (CID 107499984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).