N-[1-(4-fluorophenyl)ethyl]-5-(1-methylnaphthalen-2-yl)-1H-imidazol-2-amine

C22H20FN3 — CID 70024375

IUPACN-[1-(4-fluorophenyl)ethyl]-5-(1-methylnaphthalen-2-yl)-1H-imidazol-2-amine
SMILESCc1c(-c2cnc(NC(C)c3ccc(F)cc3)[nH]2)ccc2ccccc12
InChIInChI=1S/C22H20FN3/c1-14-19-6-4-3-5-17(19)9-12-20(14)21-13-24-22(26-21)25-15(2)16-7-10-18(23)11-8-16/h3-13,15H,1-2H3,(H2,24,25,26)
InChIKeyZNDNWNIMTLSSKK-UHFFFAOYSA-N
MW345.42 g/mol
LogP5.85
Rot. Bonds4

About N-[1-(4-fluorophenyl)ethyl]-5-(1-methylnaphthalen-2-yl)-1H-imidazol-2-amine

N-[1-(4-fluorophenyl)ethyl]-5-(1-methylnaphthalen-2-yl)-1H-imidazol-2-amine (PubChem CID 70024375) has the molecular formula C22H20FN3 and a molecular weight of 345.42 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-5-(1-methylnaphthalen-2-yl)-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-5-(1-methylnaphthalen-2-yl)-1H-imidazol-2-amine
PubChem CID70024375
Molecular FormulaC22H20FN3
Molecular Weight345.42 g/mol
Exact Mass345.16
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-5-(1-methylnaphthalen-2-yl)-1H-imidazol-2-amine
SMILESCc1c(-c2cnc(NC(C)c3ccc(F)cc3)[nH]2)ccc2ccccc12
InChIInChI=1S/C22H20FN3/c1-14-19-6-4-3-5-17(19)9-12-20(14)21-13-24-22(26-21)25-15(2)16-7-10-18(23)11-8-16/h3-13,15H,1-2H3,(H2,24,25,26)
InChIKeyZNDNWNIMTLSSKK-UHFFFAOYSA-N
XLogP5.85
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.42
LogP ≤ 55.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Dexmedetomidine
CID 5311068
Medetomidine
CID 68602
4-Phenylimidazole
CID 69590
Detomidine
CID 56032
4-(4-fluorophenyl)-1H-imidazole
CID 657876
BI-9321
CID 138115329
4-(1-(1-Naphthyl)ethyl)imidazole
CID 132110
Arpromidine
CID 65895
1-methyl-5-(2-naphthyl)-1H-imidazole
CID 11550235
5-(4-fluorophenyl)-1H-imidazol-2-amine
CID 13012252
5-(1-naphthalen-1-ylethyl)-1H-imidazole
CID 132111
2-Hexyl-5-[4-(2-methylpropyl)phenyl]-1H-imidazole
CID 9795821

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-5-(1-methylnaphthalen-2-yl)-1H-imidazol-2-amine?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-5-(1-methylnaphthalen-2-yl)-1H-imidazol-2-amine (CID 70024375) is N-[1-(4-fluorophenyl)ethyl]-5-(1-methylnaphthalen-2-yl)-1H-imidazol-2-amine.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-5-(1-methylnaphthalen-2-yl)-1H-imidazol-2-amine?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-5-(1-methylnaphthalen-2-yl)-1H-imidazol-2-amine is Cc1c(-c2cnc(NC(C)c3ccc(F)cc3)[nH]2)ccc2ccccc12.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-5-(1-methylnaphthalen-2-yl)-1H-imidazol-2-amine?
The InChIKey is ZNDNWNIMTLSSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3/c1-14-19-6-4-3-5-17(19)9-12-20(14)21-13-24-22(26-21)25-15(2)16-7-10-18(23)11-8-16/h3-13,15H,1-2H3,(H2,24,25,26).
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-5-(1-methylnaphthalen-2-yl)-1H-imidazol-2-amine?
N-[1-(4-fluorophenyl)ethyl]-5-(1-methylnaphthalen-2-yl)-1H-imidazol-2-amine has a molecular weight of 345.42 g/mol, XLogP of 5.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-5-(1-methylnaphthalen-2-yl)-1H-imidazol-2-amine is sourced from PubChem (CID 70024375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).