[3-(2-methylcyclopentyl)imidazol-4-yl]-phenylmethanamine

C16H21N3 — CID 114706106

IUPAC[3-(2-methylcyclopentyl)imidazol-4-yl]-phenylmethanamine
SMILESCC1CCCC1n1cncc1C(N)c1ccccc1
InChIInChI=1S/C16H21N3/c1-12-6-5-9-14(12)19-11-18-10-15(19)16(17)13-7-3-2-4-8-13/h2-4,7-8,10-12,14,16H,5-6,9,17H2,1H3
InChIKeyWTIDGKMOKQXTNE-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.29
Rot. Bonds3

About [3-(2-methylcyclopentyl)imidazol-4-yl]-phenylmethanamine

[3-(2-methylcyclopentyl)imidazol-4-yl]-phenylmethanamine (PubChem CID 114706106) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is [3-(2-methylcyclopentyl)imidazol-4-yl]-phenylmethanamine.

Molecular Properties

Compound Name[3-(2-methylcyclopentyl)imidazol-4-yl]-phenylmethanamine
PubChem CID114706106
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name[3-(2-methylcyclopentyl)imidazol-4-yl]-phenylmethanamine
SMILESCC1CCCC1n1cncc1C(N)c1ccccc1
InChIInChI=1S/C16H21N3/c1-12-6-5-9-14(12)19-11-18-10-15(19)16(17)13-7-3-2-4-8-13/h2-4,7-8,10-12,14,16H,5-6,9,17H2,1H3
InChIKeyWTIDGKMOKQXTNE-UHFFFAOYSA-N
XLogP3.29
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(2-methylcyclopentyl)imidazol-4-yl]-phenylmethanamine?
The IUPAC name of [3-(2-methylcyclopentyl)imidazol-4-yl]-phenylmethanamine (CID 114706106) is [3-(2-methylcyclopentyl)imidazol-4-yl]-phenylmethanamine.
What is the SMILES notation for [3-(2-methylcyclopentyl)imidazol-4-yl]-phenylmethanamine?
The canonical SMILES for [3-(2-methylcyclopentyl)imidazol-4-yl]-phenylmethanamine is CC1CCCC1n1cncc1C(N)c1ccccc1.
What is the InChIKey of [3-(2-methylcyclopentyl)imidazol-4-yl]-phenylmethanamine?
The InChIKey is WTIDGKMOKQXTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-12-6-5-9-14(12)19-11-18-10-15(19)16(17)13-7-3-2-4-8-13/h2-4,7-8,10-12,14,16H,5-6,9,17H2,1H3.
What are the key properties of [3-(2-methylcyclopentyl)imidazol-4-yl]-phenylmethanamine?
[3-(2-methylcyclopentyl)imidazol-4-yl]-phenylmethanamine has a molecular weight of 255.37 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methylcyclopentyl)imidazol-4-yl]-phenylmethanamine is sourced from PubChem (CID 114706106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).