N-[(3-fluorophenyl)methyl]-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]cyclopentan-1-amine

C22H24FN3 — CID 122186648

IUPACN-[(3-fluorophenyl)methyl]-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]cyclopentan-1-amine
SMILESCc1ccc(-c2cnc(C3(NCc4cccc(F)c4)CCCC3)[nH]2)cc1
InChIInChI=1S/C22H24FN3/c1-16-7-9-18(10-8-16)20-15-24-21(26-20)22(11-2-3-12-22)25-14-17-5-4-6-19(23)13-17/h4-10,13,15,25H,2-3,11-12,14H2,1H3,(H,24,26)
InChIKeyJUPSXCNVLALBFD-UHFFFAOYSA-N
MW349.45 g/mol
LogP5.08
Rot. Bonds5

About N-[(3-fluorophenyl)methyl]-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]cyclopentan-1-amine

N-[(3-fluorophenyl)methyl]-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]cyclopentan-1-amine (PubChem CID 122186648) has the molecular formula C22H24FN3 and a molecular weight of 349.45 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]cyclopentan-1-amine.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]cyclopentan-1-amine
PubChem CID122186648
Molecular FormulaC22H24FN3
Molecular Weight349.45 g/mol
Exact Mass349.20
IUPAC NameN-[(3-fluorophenyl)methyl]-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]cyclopentan-1-amine
SMILESCc1ccc(-c2cnc(C3(NCc4cccc(F)c4)CCCC3)[nH]2)cc1
InChIInChI=1S/C22H24FN3/c1-16-7-9-18(10-8-16)20-15-24-21(26-20)22(11-2-3-12-22)25-14-17-5-4-6-19(23)13-17/h4-10,13,15,25H,2-3,11-12,14H2,1H3,(H,24,26)
InChIKeyJUPSXCNVLALBFD-UHFFFAOYSA-N
XLogP5.08
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.45
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]cyclopentan-1-amine?
The IUPAC name of N-[(3-fluorophenyl)methyl]-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]cyclopentan-1-amine (CID 122186648) is N-[(3-fluorophenyl)methyl]-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]cyclopentan-1-amine.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]cyclopentan-1-amine?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]cyclopentan-1-amine is Cc1ccc(-c2cnc(C3(NCc4cccc(F)c4)CCCC3)[nH]2)cc1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]cyclopentan-1-amine?
The InChIKey is JUPSXCNVLALBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3/c1-16-7-9-18(10-8-16)20-15-24-21(26-20)22(11-2-3-12-22)25-14-17-5-4-6-19(23)13-17/h4-10,13,15,25H,2-3,11-12,14H2,1H3,(H,24,26).
What are the key properties of N-[(3-fluorophenyl)methyl]-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]cyclopentan-1-amine?
N-[(3-fluorophenyl)methyl]-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]cyclopentan-1-amine has a molecular weight of 349.45 g/mol, XLogP of 5.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]cyclopentan-1-amine is sourced from PubChem (CID 122186648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).