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

C22H18ClF2N7O — CID 162722037

IUPACN-[4-[1-[[2-chloro-4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazol-4-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESFC(F)c1nnc(-c2ccc(Cn3cnc(-c4ccc(NC5=NCCN5)cc4)c3)c(Cl)c2)o1
InChIInChI=1S/C22H18ClF2N7O/c23-17-9-14(20-30-31-21(33-20)19(24)25)1-2-15(17)10-32-11-18(28-12-32)13-3-5-16(6-4-13)29-22-26-7-8-27-22/h1-6,9,11-12,19H,7-8,10H2,(H2,26,27,29)
InChIKeyQKRHLPCPNDRHGU-UHFFFAOYSA-N
MW469.88 g/mol
LogP4.61
Rot. Bonds6

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

N-[4-[1-[[2-chloro-4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazol-4-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 162722037) has the molecular formula C22H18ClF2N7O and a molecular weight of 469.88 g/mol. Its IUPAC name is N-[4-[1-[[2-chloro-4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazol-4-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-[4-[1-[[2-chloro-4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazol-4-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine
PubChem CID162722037
Molecular FormulaC22H18ClF2N7O
Molecular Weight469.88 g/mol
Exact Mass469.12
IUPAC NameN-[4-[1-[[2-chloro-4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazol-4-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESFC(F)c1nnc(-c2ccc(Cn3cnc(-c4ccc(NC5=NCCN5)cc4)c3)c(Cl)c2)o1
InChIInChI=1S/C22H18ClF2N7O/c23-17-9-14(20-30-31-21(33-20)19(24)25)1-2-15(17)10-32-11-18(28-12-32)13-3-5-16(6-4-13)29-22-26-7-8-27-22/h1-6,9,11-12,19H,7-8,10H2,(H2,26,27,29)
InChIKeyQKRHLPCPNDRHGU-UHFFFAOYSA-N
XLogP4.61
TPSA93.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.88
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-((1R)-1-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 49867823
N-[(1R)-1-[2-chloro-4-(4-fluorophenyl)phenyl]-2-imidazol-1-ylethyl]-4-[5-[3-fluoro-5-(5-fluoropyrimidin-4-yl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 139592939
N-[(1R)-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethyl]-4-[5-[3-fluoro-5-(5-fluoropyrimidin-4-yl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 145960367
N-[(1R)-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethyl]-4-[5-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 145962573
N-[(1R)-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethyl]-4-[5-(3-fluoro-5-pyridin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 145962839
N-[(1R)-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethyl]-4-[5-(3,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 145962862
N-[(1R)-1-(2-chloro-4-phenylphenyl)-2-imidazol-1-ylethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 145979115
N-[(1R)-1-[2-chloro-4-(4-fluorophenyl)phenyl]-2-imidazol-1-ylethyl]-4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 145980463
N-[(1R)-1-[2-chloro-4-(4-fluorophenyl)phenyl]-2-imidazol-1-ylethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 145984384
N-[(1R)-1-[2-chloro-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2-imidazol-1-ylethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 145988297
N-[(1R)-1-[2-chloro-4-(4-fluorophenyl)phenyl]-2-imidazol-1-ylethyl]-4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 145991628
N-[(1R)-1-[2-chloro-4-(4-fluorophenyl)phenyl]-2-imidazol-1-ylethyl]-4-[5-(3-fluoro-5-pyridin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 155510992

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[[2-chloro-4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazol-4-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-[4-[1-[[2-chloro-4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazol-4-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine (CID 162722037) is N-[4-[1-[[2-chloro-4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazol-4-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-[4-[1-[[2-chloro-4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazol-4-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-[4-[1-[[2-chloro-4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazol-4-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine is FC(F)c1nnc(-c2ccc(Cn3cnc(-c4ccc(NC5=NCCN5)cc4)c3)c(Cl)c2)o1.
What is the InChIKey of N-[4-[1-[[2-chloro-4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazol-4-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is QKRHLPCPNDRHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClF2N7O/c23-17-9-14(20-30-31-21(33-20)19(24)25)1-2-15(17)10-32-11-18(28-12-32)13-3-5-16(6-4-13)29-22-26-7-8-27-22/h1-6,9,11-12,19H,7-8,10H2,(H2,26,27,29).
What are the key properties of N-[4-[1-[[2-chloro-4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazol-4-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine?
N-[4-[1-[[2-chloro-4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazol-4-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 469.88 g/mol, XLogP of 4.61, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[[2-chloro-4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazol-4-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 162722037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).