1-[5-(4-methylphenyl)-1H-imidazol-2-yl]-N-(quinolin-6-ylmethyl)cyclopentan-1-amine

C25H26N4 — CID 122186653

IUPAC1-[5-(4-methylphenyl)-1H-imidazol-2-yl]-N-(quinolin-6-ylmethyl)cyclopentan-1-amine
SMILESCc1ccc(-c2cnc(C3(NCc4ccc5ncccc5c4)CCCC3)[nH]2)cc1
InChIInChI=1S/C25H26N4/c1-18-6-9-20(10-7-18)23-17-27-24(29-23)25(12-2-3-13-25)28-16-19-8-11-22-21(15-19)5-4-14-26-22/h4-11,14-15,17,28H,2-3,12-13,16H2,1H3,(H,27,29)
InChIKeyZOTZPKYIRMXEJK-UHFFFAOYSA-N
MW382.51 g/mol
LogP5.49
Rot. Bonds5

About 1-[5-(4-methylphenyl)-1H-imidazol-2-yl]-N-(quinolin-6-ylmethyl)cyclopentan-1-amine

1-[5-(4-methylphenyl)-1H-imidazol-2-yl]-N-(quinolin-6-ylmethyl)cyclopentan-1-amine (PubChem CID 122186653) has the molecular formula C25H26N4 and a molecular weight of 382.51 g/mol. Its IUPAC name is 1-[5-(4-methylphenyl)-1H-imidazol-2-yl]-N-(quinolin-6-ylmethyl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-[5-(4-methylphenyl)-1H-imidazol-2-yl]-N-(quinolin-6-ylmethyl)cyclopentan-1-amine
PubChem CID122186653
Molecular FormulaC25H26N4
Molecular Weight382.51 g/mol
Exact Mass382.22
IUPAC Name1-[5-(4-methylphenyl)-1H-imidazol-2-yl]-N-(quinolin-6-ylmethyl)cyclopentan-1-amine
SMILESCc1ccc(-c2cnc(C3(NCc4ccc5ncccc5c4)CCCC3)[nH]2)cc1
InChIInChI=1S/C25H26N4/c1-18-6-9-20(10-7-18)23-17-27-24(29-23)25(12-2-3-13-25)28-16-19-8-11-22-21(15-19)5-4-14-26-22/h4-11,14-15,17,28H,2-3,12-13,16H2,1H3,(H,27,29)
InChIKeyZOTZPKYIRMXEJK-UHFFFAOYSA-N
XLogP5.49
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.51
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[5-(4-methylphenyl)-1H-imidazol-2-yl]-N-(quinolin-6-ylmethyl)cyclopentan-1-amine with MolForge

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Related Compounds

N-[(3-fluorophenyl)methyl]-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]cyclopentan-1-amine
CID 122186648
1-methyl-N-(quinolin-6-ylmethyl)cyclopropan-1-amine
CID 115635138
N-[(7-methoxy-1H-indol-3-yl)methyl]-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]cyclopentan-1-amine
CID 122186636
[1-(quinolin-6-ylmethylamino)cyclobutyl]methanol
CID 113263671
N,N-dimethyl-1-[(quinolin-6-ylmethylamino)methyl]cyclobutan-1-amine
CID 105414996
3,5-dimethyl-N-(quinolin-6-ylmethyl)aniline
CID 28776356
2,4-dimethyl-N-(quinolin-6-ylmethyl)aniline
CID 28776204
1-(chloromethyl)-3-methyl-N-(quinolin-6-ylmethyl)cyclohexan-1-amine
CID 65030473
N-(quinolin-6-ylmethyl)prop-2-yn-1-amine
CID 28776188
2,2-dimethyl-N-(quinolin-6-ylmethyl)cyclopropan-1-amine
CID 61222294
2-fluoro-5-methyl-N-(quinolin-6-ylmethyl)aniline
CID 28968475
cyclobutane;N-(quinolin-6-ylmethyl)but-3-yn-2-amine
CID 143817752

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-methylphenyl)-1H-imidazol-2-yl]-N-(quinolin-6-ylmethyl)cyclopentan-1-amine?
The IUPAC name of 1-[5-(4-methylphenyl)-1H-imidazol-2-yl]-N-(quinolin-6-ylmethyl)cyclopentan-1-amine (CID 122186653) is 1-[5-(4-methylphenyl)-1H-imidazol-2-yl]-N-(quinolin-6-ylmethyl)cyclopentan-1-amine.
What is the SMILES notation for 1-[5-(4-methylphenyl)-1H-imidazol-2-yl]-N-(quinolin-6-ylmethyl)cyclopentan-1-amine?
The canonical SMILES for 1-[5-(4-methylphenyl)-1H-imidazol-2-yl]-N-(quinolin-6-ylmethyl)cyclopentan-1-amine is Cc1ccc(-c2cnc(C3(NCc4ccc5ncccc5c4)CCCC3)[nH]2)cc1.
What is the InChIKey of 1-[5-(4-methylphenyl)-1H-imidazol-2-yl]-N-(quinolin-6-ylmethyl)cyclopentan-1-amine?
The InChIKey is ZOTZPKYIRMXEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4/c1-18-6-9-20(10-7-18)23-17-27-24(29-23)25(12-2-3-13-25)28-16-19-8-11-22-21(15-19)5-4-14-26-22/h4-11,14-15,17,28H,2-3,12-13,16H2,1H3,(H,27,29).
What are the key properties of 1-[5-(4-methylphenyl)-1H-imidazol-2-yl]-N-(quinolin-6-ylmethyl)cyclopentan-1-amine?
1-[5-(4-methylphenyl)-1H-imidazol-2-yl]-N-(quinolin-6-ylmethyl)cyclopentan-1-amine has a molecular weight of 382.51 g/mol, XLogP of 5.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-methylphenyl)-1H-imidazol-2-yl]-N-(quinolin-6-ylmethyl)cyclopentan-1-amine is sourced from PubChem (CID 122186653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).