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

C21H18FN3 — CID 70023934

IUPACN-[(4-fluorophenyl)methyl]-5-(1-methylnaphthalen-2-yl)-1H-imidazol-2-amine
SMILESCc1c(-c2cnc(NCc3ccc(F)cc3)[nH]2)ccc2ccccc12
InChIInChI=1S/C21H18FN3/c1-14-18-5-3-2-4-16(18)8-11-19(14)20-13-24-21(25-20)23-12-15-6-9-17(22)10-7-15/h2-11,13H,12H2,1H3,(H2,23,24,25)
InChIKeyKTAKKTISLXSTJS-UHFFFAOYSA-N
MW331.39 g/mol
LogP5.29
Rot. Bonds4

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

N-[(4-fluorophenyl)methyl]-5-(1-methylnaphthalen-2-yl)-1H-imidazol-2-amine (PubChem CID 70023934) has the molecular formula C21H18FN3 and a molecular weight of 331.39 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-5-(1-methylnaphthalen-2-yl)-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-5-(1-methylnaphthalen-2-yl)-1H-imidazol-2-amine
PubChem CID70023934
Molecular FormulaC21H18FN3
Molecular Weight331.39 g/mol
Exact Mass331.15
IUPAC NameN-[(4-fluorophenyl)methyl]-5-(1-methylnaphthalen-2-yl)-1H-imidazol-2-amine
SMILESCc1c(-c2cnc(NCc3ccc(F)cc3)[nH]2)ccc2ccccc12
InChIInChI=1S/C21H18FN3/c1-14-18-5-3-2-4-16(18)8-11-19(14)20-13-24-21(25-20)23-12-15-6-9-17(22)10-7-15/h2-11,13H,12H2,1H3,(H2,23,24,25)
InChIKeyKTAKKTISLXSTJS-UHFFFAOYSA-N
XLogP5.29
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.39
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 5311068
Medetomidine
CID 68602
Dexmedetomidine Hydrochloride
CID 6918081
Detomidine Hydrochloride
CID 56031
Medetomidine Hydrochloride
CID 68601
4-Phenylimidazole
CID 69590
Detomidine
CID 56032
2-(3-Trifluoromethylphenyl)histamine
CID 5310982
4-(4-fluorophenyl)-1H-imidazole
CID 657876
BI-9321
CID 138115329
4-(1-(1-Naphthyl)ethyl)imidazole
CID 132110
Arpromidine
CID 65895

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-5-(1-methylnaphthalen-2-yl)-1H-imidazol-2-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-5-(1-methylnaphthalen-2-yl)-1H-imidazol-2-amine (CID 70023934) is N-[(4-fluorophenyl)methyl]-5-(1-methylnaphthalen-2-yl)-1H-imidazol-2-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-5-(1-methylnaphthalen-2-yl)-1H-imidazol-2-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-5-(1-methylnaphthalen-2-yl)-1H-imidazol-2-amine is Cc1c(-c2cnc(NCc3ccc(F)cc3)[nH]2)ccc2ccccc12.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-5-(1-methylnaphthalen-2-yl)-1H-imidazol-2-amine?
The InChIKey is KTAKKTISLXSTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3/c1-14-18-5-3-2-4-16(18)8-11-19(14)20-13-24-21(25-20)23-12-15-6-9-17(22)10-7-15/h2-11,13H,12H2,1H3,(H2,23,24,25).
What are the key properties of N-[(4-fluorophenyl)methyl]-5-(1-methylnaphthalen-2-yl)-1H-imidazol-2-amine?
N-[(4-fluorophenyl)methyl]-5-(1-methylnaphthalen-2-yl)-1H-imidazol-2-amine has a molecular weight of 331.39 g/mol, XLogP of 5.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-5-(1-methylnaphthalen-2-yl)-1H-imidazol-2-amine is sourced from PubChem (CID 70023934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).