2-[(1-cyclopentylimidazol-2-yl)methyl]aniline

C15H19N3 — CID 82558770

IUPAC2-[(1-cyclopentylimidazol-2-yl)methyl]aniline
SMILESNc1ccccc1Cc1nccn1C1CCCC1
InChIInChI=1S/C15H19N3/c16-14-8-4-1-5-12(14)11-15-17-9-10-18(15)13-6-2-3-7-13/h1,4-5,8-10,13H,2-3,6-7,11,16H2
InChIKeyPBCJFZQZLJRWRF-UHFFFAOYSA-N
MW241.34 g/mol
LogP3.17
Rot. Bonds3

About 2-[(1-cyclopentylimidazol-2-yl)methyl]aniline

2-[(1-cyclopentylimidazol-2-yl)methyl]aniline (PubChem CID 82558770) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 2-[(1-cyclopentylimidazol-2-yl)methyl]aniline.

Molecular Properties

Compound Name2-[(1-cyclopentylimidazol-2-yl)methyl]aniline
PubChem CID82558770
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name2-[(1-cyclopentylimidazol-2-yl)methyl]aniline
SMILESNc1ccccc1Cc1nccn1C1CCCC1
InChIInChI=1S/C15H19N3/c16-14-8-4-1-5-12(14)11-15-17-9-10-18(15)13-6-2-3-7-13/h1,4-5,8-10,13H,2-3,6-7,11,16H2
InChIKeyPBCJFZQZLJRWRF-UHFFFAOYSA-N
XLogP3.17
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-cyclopropyl-2-[(2-methylphenyl)methyl]imidazole
CID 67927146
2-[(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)methyl]aniline
CID 55086241
2-[2-[(2-aminophenyl)methyl]imidazol-1-yl]acetic acid
CID 82558769
2-(cyclopentylmethyl)aniline
CID 15634615
2-[[1-[3-(dimethylamino)propyl]imidazol-2-yl]methyl]aniline
CID 82558780
1-cyclohexyl-N-[(2-ethylphenyl)methyl]imidazol-2-amine
CID 106574558
N-[(1-cyclopropylimidazol-2-yl)methyl]-1-phenylmethanamine
CID 165476027
4-(2-ethylimidazol-1-yl)-1-methylazepane
CID 84734196
4-[2-[(2,4-difluorophenyl)methyl]imidazol-1-yl]piperidine
CID 82558361
2-(1-piperidin-3-ylimidazol-2-yl)ethanamine
CID 84733200
2-[[1-[(3-bromo-4-fluorophenyl)methyl]imidazol-2-yl]methyl]aniline
CID 82558825
1-cyclooctyl-N-phenylimidazol-2-amine
CID 106557142

Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclopentylimidazol-2-yl)methyl]aniline?
The IUPAC name of 2-[(1-cyclopentylimidazol-2-yl)methyl]aniline (CID 82558770) is 2-[(1-cyclopentylimidazol-2-yl)methyl]aniline.
What is the SMILES notation for 2-[(1-cyclopentylimidazol-2-yl)methyl]aniline?
The canonical SMILES for 2-[(1-cyclopentylimidazol-2-yl)methyl]aniline is Nc1ccccc1Cc1nccn1C1CCCC1.
What is the InChIKey of 2-[(1-cyclopentylimidazol-2-yl)methyl]aniline?
The InChIKey is PBCJFZQZLJRWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c16-14-8-4-1-5-12(14)11-15-17-9-10-18(15)13-6-2-3-7-13/h1,4-5,8-10,13H,2-3,6-7,11,16H2.
What are the key properties of 2-[(1-cyclopentylimidazol-2-yl)methyl]aniline?
2-[(1-cyclopentylimidazol-2-yl)methyl]aniline has a molecular weight of 241.34 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclopentylimidazol-2-yl)methyl]aniline is sourced from PubChem (CID 82558770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).