N-[(2-imidazol-1-ylphenyl)methyl]cyclopentanamine

C15H19N3 — CID 129369503

IUPACN-[(2-imidazol-1-ylphenyl)methyl]cyclopentanamine
SMILESc1ccc(-n2ccnc2)c(CNC2CCCC2)c1
InChIInChI=1S/C15H19N3/c1-4-8-15(18-10-9-16-12-18)13(5-1)11-17-14-6-2-3-7-14/h1,4-5,8-10,12,14,17H,2-3,6-7,11H2
InChIKeyYLHNOSJDYVOIOH-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.90
Rot. Bonds4

About N-[(2-imidazol-1-ylphenyl)methyl]cyclopentanamine

N-[(2-imidazol-1-ylphenyl)methyl]cyclopentanamine (PubChem CID 129369503) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is N-[(2-imidazol-1-ylphenyl)methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[(2-imidazol-1-ylphenyl)methyl]cyclopentanamine
PubChem CID129369503
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC NameN-[(2-imidazol-1-ylphenyl)methyl]cyclopentanamine
SMILESc1ccc(-n2ccnc2)c(CNC2CCCC2)c1
InChIInChI=1S/C15H19N3/c1-4-8-15(18-10-9-16-12-18)13(5-1)11-17-14-6-2-3-7-14/h1,4-5,8-10,12,14,17H,2-3,6-7,11H2
InChIKeyYLHNOSJDYVOIOH-UHFFFAOYSA-N
XLogP2.90
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-imidazol-1-ylphenyl)methyl]cyclopentanamine?
The IUPAC name of N-[(2-imidazol-1-ylphenyl)methyl]cyclopentanamine (CID 129369503) is N-[(2-imidazol-1-ylphenyl)methyl]cyclopentanamine.
What is the SMILES notation for N-[(2-imidazol-1-ylphenyl)methyl]cyclopentanamine?
The canonical SMILES for N-[(2-imidazol-1-ylphenyl)methyl]cyclopentanamine is c1ccc(-n2ccnc2)c(CNC2CCCC2)c1.
What is the InChIKey of N-[(2-imidazol-1-ylphenyl)methyl]cyclopentanamine?
The InChIKey is YLHNOSJDYVOIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-4-8-15(18-10-9-16-12-18)13(5-1)11-17-14-6-2-3-7-14/h1,4-5,8-10,12,14,17H,2-3,6-7,11H2.
What are the key properties of N-[(2-imidazol-1-ylphenyl)methyl]cyclopentanamine?
N-[(2-imidazol-1-ylphenyl)methyl]cyclopentanamine has a molecular weight of 241.34 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-imidazol-1-ylphenyl)methyl]cyclopentanamine is sourced from PubChem (CID 129369503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).