N-[[5-(3-fluorophenyl)-1H-imidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine

C19H19FN4 — CID 141048926

IUPACN-[[5-(3-fluorophenyl)-1H-imidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
SMILESFc1cccc(-c2cnc(CNC3CCCc4cccnc43)[nH]2)c1
InChIInChI=1S/C19H19FN4/c20-15-7-1-5-14(10-15)17-11-23-18(24-17)12-22-16-8-2-4-13-6-3-9-21-19(13)16/h1,3,5-7,9-11,16,22H,2,4,8,12H2,(H,23,24)
InChIKeyIXPLSBSHTSBBDP-UHFFFAOYSA-N
MW322.39 g/mol
LogP3.78
Rot. Bonds4

About N-[[5-(3-fluorophenyl)-1H-imidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine

N-[[5-(3-fluorophenyl)-1H-imidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 141048926) has the molecular formula C19H19FN4 and a molecular weight of 322.39 g/mol. Its IUPAC name is N-[[5-(3-fluorophenyl)-1H-imidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

Compound NameN-[[5-(3-fluorophenyl)-1H-imidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
PubChem CID141048926
Molecular FormulaC19H19FN4
Molecular Weight322.39 g/mol
Exact Mass322.16
IUPAC NameN-[[5-(3-fluorophenyl)-1H-imidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
SMILESFc1cccc(-c2cnc(CNC3CCCc4cccnc43)[nH]2)c1
InChIInChI=1S/C19H19FN4/c20-15-7-1-5-14(10-15)17-11-23-18(24-17)12-22-16-8-2-4-13-6-3-9-21-19(13)16/h1,3,5-7,9-11,16,22H,2,4,8,12H2,(H,23,24)
InChIKeyIXPLSBSHTSBBDP-UHFFFAOYSA-N
XLogP3.78
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-fluorophenyl)-1H-imidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The IUPAC name of N-[[5-(3-fluorophenyl)-1H-imidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine (CID 141048926) is N-[[5-(3-fluorophenyl)-1H-imidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine.
What is the SMILES notation for N-[[5-(3-fluorophenyl)-1H-imidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The canonical SMILES for N-[[5-(3-fluorophenyl)-1H-imidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine is Fc1cccc(-c2cnc(CNC3CCCc4cccnc43)[nH]2)c1.
What is the InChIKey of N-[[5-(3-fluorophenyl)-1H-imidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The InChIKey is IXPLSBSHTSBBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4/c20-15-7-1-5-14(10-15)17-11-23-18(24-17)12-22-16-8-2-4-13-6-3-9-21-19(13)16/h1,3,5-7,9-11,16,22H,2,4,8,12H2,(H,23,24).
What are the key properties of N-[[5-(3-fluorophenyl)-1H-imidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
N-[[5-(3-fluorophenyl)-1H-imidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 322.39 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-fluorophenyl)-1H-imidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 141048926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).