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

C21H27N5 — CID 122186657

IUPACN-[(3-ethylimidazol-4-yl)methyl]-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]cyclopentan-1-amine
SMILESCCn1cncc1CNC1(c2ncc(-c3ccc(C)cc3)[nH]2)CCCC1
InChIInChI=1S/C21H27N5/c1-3-26-15-22-12-18(26)13-24-21(10-4-5-11-21)20-23-14-19(25-20)17-8-6-16(2)7-9-17/h6-9,12,14-15,24H,3-5,10-11,13H2,1-2H3,(H,23,25)
InChIKeyRYOPJUGGAJMRGA-UHFFFAOYSA-N
MW349.48 g/mol
LogP4.16
Rot. Bonds6

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

N-[(3-ethylimidazol-4-yl)methyl]-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]cyclopentan-1-amine (PubChem CID 122186657) has the molecular formula C21H27N5 and a molecular weight of 349.48 g/mol. Its IUPAC name is N-[(3-ethylimidazol-4-yl)methyl]-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]cyclopentan-1-amine.

Molecular Properties

Compound NameN-[(3-ethylimidazol-4-yl)methyl]-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]cyclopentan-1-amine
PubChem CID122186657
Molecular FormulaC21H27N5
Molecular Weight349.48 g/mol
Exact Mass349.23
IUPAC NameN-[(3-ethylimidazol-4-yl)methyl]-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]cyclopentan-1-amine
SMILESCCn1cncc1CNC1(c2ncc(-c3ccc(C)cc3)[nH]2)CCCC1
InChIInChI=1S/C21H27N5/c1-3-26-15-22-12-18(26)13-24-21(10-4-5-11-21)20-23-14-19(25-20)17-8-6-16(2)7-9-17/h6-9,12,14-15,24H,3-5,10-11,13H2,1-2H3,(H,23,25)
InChIKeyRYOPJUGGAJMRGA-UHFFFAOYSA-N
XLogP4.16
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylimidazol-4-yl)methyl]-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]cyclopentan-1-amine?
The IUPAC name of N-[(3-ethylimidazol-4-yl)methyl]-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]cyclopentan-1-amine (CID 122186657) is N-[(3-ethylimidazol-4-yl)methyl]-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]cyclopentan-1-amine.
What is the SMILES notation for N-[(3-ethylimidazol-4-yl)methyl]-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]cyclopentan-1-amine?
The canonical SMILES for N-[(3-ethylimidazol-4-yl)methyl]-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]cyclopentan-1-amine is CCn1cncc1CNC1(c2ncc(-c3ccc(C)cc3)[nH]2)CCCC1.
What is the InChIKey of N-[(3-ethylimidazol-4-yl)methyl]-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]cyclopentan-1-amine?
The InChIKey is RYOPJUGGAJMRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5/c1-3-26-15-22-12-18(26)13-24-21(10-4-5-11-21)20-23-14-19(25-20)17-8-6-16(2)7-9-17/h6-9,12,14-15,24H,3-5,10-11,13H2,1-2H3,(H,23,25).
What are the key properties of N-[(3-ethylimidazol-4-yl)methyl]-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]cyclopentan-1-amine?
N-[(3-ethylimidazol-4-yl)methyl]-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]cyclopentan-1-amine has a molecular weight of 349.48 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylimidazol-4-yl)methyl]-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]cyclopentan-1-amine is sourced from PubChem (CID 122186657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).