N-[4-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]imidazol-4-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine

C21H18F2N8O — CID 162722310

IUPACN-[4-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]imidazol-4-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESFC(F)c1nnc(-c2ccc(Cn3cnc(-c4ccc(NC5=NCCN5)cc4)c3)nc2)o1
InChIInChI=1S/C21H18F2N8O/c22-18(23)20-30-29-19(32-20)14-3-6-16(26-9-14)10-31-11-17(27-12-31)13-1-4-15(5-2-13)28-21-24-7-8-25-21/h1-6,9,11-12,18H,7-8,10H2,(H2,24,25,28)
InChIKeyIGKXJIIJJSSKNC-UHFFFAOYSA-N
MW436.43 g/mol
LogP3.35
Rot. Bonds6

About N-[4-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]imidazol-4-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine

N-[4-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]imidazol-4-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 162722310) has the molecular formula C21H18F2N8O and a molecular weight of 436.43 g/mol. Its IUPAC name is N-[4-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]imidazol-4-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-[4-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]imidazol-4-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine
PubChem CID162722310
Molecular FormulaC21H18F2N8O
Molecular Weight436.43 g/mol
Exact Mass436.16
IUPAC NameN-[4-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]imidazol-4-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESFC(F)c1nnc(-c2ccc(Cn3cnc(-c4ccc(NC5=NCCN5)cc4)c3)nc2)o1
InChIInChI=1S/C21H18F2N8O/c22-18(23)20-30-29-19(32-20)14-3-6-16(26-9-14)10-31-11-17(27-12-31)13-1-4-15(5-2-13)28-21-24-7-8-25-21/h1-6,9,11-12,18H,7-8,10H2,(H2,24,25,28)
InChIKeyIGKXJIIJJSSKNC-UHFFFAOYSA-N
XLogP3.35
TPSA106.05 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.43
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[4-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]imidazol-4-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine with MolForge

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Related Compounds

N-Tert-Butyl-1-(1-{5-[5-(Trifluoromethyl)-1,3,4-Oxadiazol-2-Yl]pyridin-2-Yl}piperidin-4-Yl)-1h-Imidazole-5-Carboxamide
CID 121487936
N-(tert-butyl)-1-(1-(5-(5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl)pyridin-2-yl)piperidin-4-yl)-1H-imidazole-5-carboxamide
CID 134612039
5-{2-[2-(pyridin-4-yl)ethyl]pyridin-3-yl}-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 23644879
3-(cyclopropylmethyl)-7-methyl-N-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]imidazo[4,5-b]pyridin-5-amine
CID 118288357
Topoisomerase I inhibitor 6
CID 153370123
2-Methyl-1-[4-(5-phenyl-[1,3,4]oxadiazol-2-yl)-phenyl]-1H-imidazo[4,5-c]pyridine
CID 10405802
(S)-2-amino-N-(3-(5-(5-phenyl-1,3,4-oxadiazol-2-yl)-1H-imidazol-1-yl)benzyl)propanamide
CID 44574375
N-(3-imidazol-1-ylpropyl)-6-(4-methylphenyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine
CID 153370113
US10357493, Example 175(+)
CID 146676763
5-[1-[[5-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluoro-2-pyridinyl]methyl]triazol-4-yl]pyridin-2-amine
CID 162721876
3-[1-[[4-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazol-4-yl]aniline
CID 162721923
5-(1-((5-(5-(difluoromethyl)-1,3,4-oxadiazol-2-yl)pyridin-2-yl)methyl)-1H-1,2,3-triazol-4-yl)-1-methyl-1H-benzo[d]imidazol-2-amine
CID 162721925

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]imidazol-4-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-[4-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]imidazol-4-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine (CID 162722310) is N-[4-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]imidazol-4-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-[4-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]imidazol-4-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-[4-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]imidazol-4-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine is FC(F)c1nnc(-c2ccc(Cn3cnc(-c4ccc(NC5=NCCN5)cc4)c3)nc2)o1.
What is the InChIKey of N-[4-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]imidazol-4-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is IGKXJIIJJSSKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N8O/c22-18(23)20-30-29-19(32-20)14-3-6-16(26-9-14)10-31-11-17(27-12-31)13-1-4-15(5-2-13)28-21-24-7-8-25-21/h1-6,9,11-12,18H,7-8,10H2,(H2,24,25,28).
What are the key properties of N-[4-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]imidazol-4-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine?
N-[4-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]imidazol-4-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 436.43 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]imidazol-4-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 162722310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).