2-amino-5-(3-bromo-4-fluorophenyl)-5-(2,6-diethyl-4-pyridinyl)-3-methyl-4H-imidazole-4-carbaldehyde

C20H22BrFN4O — CID 174549812

IUPAC2-amino-5-(3-bromo-4-fluorophenyl)-5-(2,6-diethyl-4-pyridinyl)-3-methyl-4H-imidazole-4-carbaldehyde
SMILESCCc1cc(C2(c3ccc(F)c(Br)c3)N=C(N)N(C)C2C=O)cc(CC)n1
InChIInChI=1S/C20H22BrFN4O/c1-4-14-8-13(9-15(5-2)24-14)20(12-6-7-17(22)16(21)10-12)18(11-27)26(3)19(23)25-20/h6-11,18H,4-5H2,1-3H3,(H2,23,25)
InChIKeyMUTXLNMWGMXPSH-UHFFFAOYSA-N
MW433.33 g/mol
LogP3.18
Rot. Bonds5

About 2-amino-5-(3-bromo-4-fluorophenyl)-5-(2,6-diethyl-4-pyridinyl)-3-methyl-4H-imidazole-4-carbaldehyde

2-amino-5-(3-bromo-4-fluorophenyl)-5-(2,6-diethyl-4-pyridinyl)-3-methyl-4H-imidazole-4-carbaldehyde (PubChem CID 174549812) has the molecular formula C20H22BrFN4O and a molecular weight of 433.33 g/mol. Its IUPAC name is 2-amino-5-(3-bromo-4-fluorophenyl)-5-(2,6-diethyl-4-pyridinyl)-3-methyl-4H-imidazole-4-carbaldehyde.

Molecular Properties

Compound Name2-amino-5-(3-bromo-4-fluorophenyl)-5-(2,6-diethyl-4-pyridinyl)-3-methyl-4H-imidazole-4-carbaldehyde
PubChem CID174549812
Molecular FormulaC20H22BrFN4O
Molecular Weight433.33 g/mol
Exact Mass432.10
IUPAC Name2-amino-5-(3-bromo-4-fluorophenyl)-5-(2,6-diethyl-4-pyridinyl)-3-methyl-4H-imidazole-4-carbaldehyde
SMILESCCc1cc(C2(c3ccc(F)c(Br)c3)N=C(N)N(C)C2C=O)cc(CC)n1
InChIInChI=1S/C20H22BrFN4O/c1-4-14-8-13(9-15(5-2)24-14)20(12-6-7-17(22)16(21)10-12)18(11-27)26(3)19(23)25-20/h6-11,18H,4-5H2,1-3H3,(H2,23,25)
InChIKeyMUTXLNMWGMXPSH-UHFFFAOYSA-N
XLogP3.18
TPSA71.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.33
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(3-bromo-4-fluorophenyl)-5-(2,6-diethyl-4-pyridinyl)-3-methyl-4H-imidazole-4-carbaldehyde?
The IUPAC name of 2-amino-5-(3-bromo-4-fluorophenyl)-5-(2,6-diethyl-4-pyridinyl)-3-methyl-4H-imidazole-4-carbaldehyde (CID 174549812) is 2-amino-5-(3-bromo-4-fluorophenyl)-5-(2,6-diethyl-4-pyridinyl)-3-methyl-4H-imidazole-4-carbaldehyde.
What is the SMILES notation for 2-amino-5-(3-bromo-4-fluorophenyl)-5-(2,6-diethyl-4-pyridinyl)-3-methyl-4H-imidazole-4-carbaldehyde?
The canonical SMILES for 2-amino-5-(3-bromo-4-fluorophenyl)-5-(2,6-diethyl-4-pyridinyl)-3-methyl-4H-imidazole-4-carbaldehyde is CCc1cc(C2(c3ccc(F)c(Br)c3)N=C(N)N(C)C2C=O)cc(CC)n1.
What is the InChIKey of 2-amino-5-(3-bromo-4-fluorophenyl)-5-(2,6-diethyl-4-pyridinyl)-3-methyl-4H-imidazole-4-carbaldehyde?
The InChIKey is MUTXLNMWGMXPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrFN4O/c1-4-14-8-13(9-15(5-2)24-14)20(12-6-7-17(22)16(21)10-12)18(11-27)26(3)19(23)25-20/h6-11,18H,4-5H2,1-3H3,(H2,23,25).
What are the key properties of 2-amino-5-(3-bromo-4-fluorophenyl)-5-(2,6-diethyl-4-pyridinyl)-3-methyl-4H-imidazole-4-carbaldehyde?
2-amino-5-(3-bromo-4-fluorophenyl)-5-(2,6-diethyl-4-pyridinyl)-3-methyl-4H-imidazole-4-carbaldehyde has a molecular weight of 433.33 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(3-bromo-4-fluorophenyl)-5-(2,6-diethyl-4-pyridinyl)-3-methyl-4H-imidazole-4-carbaldehyde is sourced from PubChem (CID 174549812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).