2-[4-(4-fluorophenyl)-5-(1H-indazol-5-yl)imidazol-1-yl]-N,N-dimethylethanamine

C20H20FN5 — CID 25165279

IUPAC2-[4-(4-fluorophenyl)-5-(1H-indazol-5-yl)imidazol-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCn1cnc(-c2ccc(F)cc2)c1-c1ccc2[nH]ncc2c1
InChIInChI=1S/C20H20FN5/c1-25(2)9-10-26-13-22-19(14-3-6-17(21)7-4-14)20(26)15-5-8-18-16(11-15)12-23-24-18/h3-8,11-13H,9-10H2,1-2H3,(H,23,24)
InChIKeyBMFRTFUXTDHARJ-UHFFFAOYSA-N
MW349.41 g/mol
LogP3.79
Rot. Bonds5

About 2-[4-(4-fluorophenyl)-5-(1H-indazol-5-yl)imidazol-1-yl]-N,N-dimethylethanamine

2-[4-(4-fluorophenyl)-5-(1H-indazol-5-yl)imidazol-1-yl]-N,N-dimethylethanamine (PubChem CID 25165279) has the molecular formula C20H20FN5 and a molecular weight of 349.41 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)-5-(1H-indazol-5-yl)imidazol-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)-5-(1H-indazol-5-yl)imidazol-1-yl]-N,N-dimethylethanamine
PubChem CID25165279
Molecular FormulaC20H20FN5
Molecular Weight349.41 g/mol
Exact Mass349.17
IUPAC Name2-[4-(4-fluorophenyl)-5-(1H-indazol-5-yl)imidazol-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCn1cnc(-c2ccc(F)cc2)c1-c1ccc2[nH]ncc2c1
InChIInChI=1S/C20H20FN5/c1-25(2)9-10-26-13-22-19(14-3-6-17(21)7-4-14)20(26)15-5-8-18-16(11-15)12-23-24-18/h3-8,11-13H,9-10H2,1-2H3,(H,23,24)
InChIKeyBMFRTFUXTDHARJ-UHFFFAOYSA-N
XLogP3.79
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Lorecivivint
CID 135565709
Ly-2584702
CID 25118925
Ag-24322
CID 135413565
N-[4-(dimethylphosphoryl)phenyl]-9-[(E)-2-(5-methyl-1H-indazol-4-yl)ethenyl]-9H-purin-6-amine
CID 44517648
CID 138105936
CID 138105936
9-(2-(1H-indazol-4-yl)vinyl)-N-(4-(dimethylphosphoryl)phenyl)-9H-purin-6-amine
CID 44561737
3-(1H-Indazol-5-yl)-N-propylimidazo(1,2-b)pyridazin-6-amine
CID 70679308
7-Fluoro-4-(5-Methyl-3h-Imidazo[4,5-B]pyridin-6-Yl)-2,4-Dihydropyrazolo[4,3-B]indole
CID 73426341
4-[1-(5,8-difluoroquinolin-4-yl)-2-methyl-4-(4H-1,2,4-triazol-3-yl)-1H-benzimidazol-6-yl]-3-fluoropyridin-2-amine
CID 134372959
2-Amino-3-methyl-6-[(1-methylpyrazol-4-yl)methyl]benzimidazole-4-carbonitrile
CID 165416401
2-Amino-3-methyl-6-[(1-methylpyrazol-3-yl)methyl]benzimidazole-4-carbonitrile
CID 165416405
N-[1-[1-[(3-fluorophenyl)methyl]imidazol-2-yl]-2-(7-methyl-1H-indazol-5-yl)ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 11250445

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)-5-(1H-indazol-5-yl)imidazol-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-(4-fluorophenyl)-5-(1H-indazol-5-yl)imidazol-1-yl]-N,N-dimethylethanamine (CID 25165279) is 2-[4-(4-fluorophenyl)-5-(1H-indazol-5-yl)imidazol-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-(4-fluorophenyl)-5-(1H-indazol-5-yl)imidazol-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-(4-fluorophenyl)-5-(1H-indazol-5-yl)imidazol-1-yl]-N,N-dimethylethanamine is CN(C)CCn1cnc(-c2ccc(F)cc2)c1-c1ccc2[nH]ncc2c1.
What is the InChIKey of 2-[4-(4-fluorophenyl)-5-(1H-indazol-5-yl)imidazol-1-yl]-N,N-dimethylethanamine?
The InChIKey is BMFRTFUXTDHARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5/c1-25(2)9-10-26-13-22-19(14-3-6-17(21)7-4-14)20(26)15-5-8-18-16(11-15)12-23-24-18/h3-8,11-13H,9-10H2,1-2H3,(H,23,24).
What are the key properties of 2-[4-(4-fluorophenyl)-5-(1H-indazol-5-yl)imidazol-1-yl]-N,N-dimethylethanamine?
2-[4-(4-fluorophenyl)-5-(1H-indazol-5-yl)imidazol-1-yl]-N,N-dimethylethanamine has a molecular weight of 349.41 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)-5-(1H-indazol-5-yl)imidazol-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 25165279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).