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

C22H25N3 — CID 122186638

IUPACN-benzyl-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]cyclopentan-1-amine
SMILESCc1ccc(-c2cnc(C3(NCc4ccccc4)CCCC3)[nH]2)cc1
InChIInChI=1S/C22H25N3/c1-17-9-11-19(12-10-17)20-16-23-21(25-20)22(13-5-6-14-22)24-15-18-7-3-2-4-8-18/h2-4,7-12,16,24H,5-6,13-15H2,1H3,(H,23,25)
InChIKeyXEVOIRXAQCTFIK-UHFFFAOYSA-N
MW331.46 g/mol
LogP4.94
Rot. Bonds5

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

N-benzyl-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]cyclopentan-1-amine (PubChem CID 122186638) has the molecular formula C22H25N3 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-benzyl-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]cyclopentan-1-amine.

Molecular Properties

Compound NameN-benzyl-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]cyclopentan-1-amine
PubChem CID122186638
Molecular FormulaC22H25N3
Molecular Weight331.46 g/mol
Exact Mass331.20
IUPAC NameN-benzyl-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]cyclopentan-1-amine
SMILESCc1ccc(-c2cnc(C3(NCc4ccccc4)CCCC3)[nH]2)cc1
InChIInChI=1S/C22H25N3/c1-17-9-11-19(12-10-17)20-16-23-21(25-20)22(13-5-6-14-22)24-15-18-7-3-2-4-8-18/h2-4,7-12,16,24H,5-6,13-15H2,1H3,(H,23,25)
InChIKeyXEVOIRXAQCTFIK-UHFFFAOYSA-N
XLogP4.94
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]cyclopentan-1-amine?
The IUPAC name of N-benzyl-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]cyclopentan-1-amine (CID 122186638) is N-benzyl-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]cyclopentan-1-amine.
What is the SMILES notation for N-benzyl-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]cyclopentan-1-amine?
The canonical SMILES for N-benzyl-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]cyclopentan-1-amine is Cc1ccc(-c2cnc(C3(NCc4ccccc4)CCCC3)[nH]2)cc1.
What is the InChIKey of N-benzyl-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]cyclopentan-1-amine?
The InChIKey is XEVOIRXAQCTFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3/c1-17-9-11-19(12-10-17)20-16-23-21(25-20)22(13-5-6-14-22)24-15-18-7-3-2-4-8-18/h2-4,7-12,16,24H,5-6,13-15H2,1H3,(H,23,25).
What are the key properties of N-benzyl-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]cyclopentan-1-amine?
N-benzyl-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]cyclopentan-1-amine has a molecular weight of 331.46 g/mol, XLogP of 4.94, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]cyclopentan-1-amine is sourced from PubChem (CID 122186638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).