4-[1-(cyclobutylmethyl)imidazol-2-yl]aniline

C14H17N3 — CID 65458282

IUPAC4-[1-(cyclobutylmethyl)imidazol-2-yl]aniline
SMILESNc1ccc(-c2nccn2CC2CCC2)cc1
InChIInChI=1S/C14H17N3/c15-13-6-4-12(5-7-13)14-16-8-9-17(14)10-11-2-1-3-11/h4-9,11H,1-3,10,15H2
InChIKeyKZUNYKSNEOEGLH-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.93
Rot. Bonds3

About 4-[1-(cyclobutylmethyl)imidazol-2-yl]aniline

4-[1-(cyclobutylmethyl)imidazol-2-yl]aniline (PubChem CID 65458282) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 4-[1-(cyclobutylmethyl)imidazol-2-yl]aniline.

Molecular Properties

Compound Name4-[1-(cyclobutylmethyl)imidazol-2-yl]aniline
PubChem CID65458282
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name4-[1-(cyclobutylmethyl)imidazol-2-yl]aniline
SMILESNc1ccc(-c2nccn2CC2CCC2)cc1
InChIInChI=1S/C14H17N3/c15-13-6-4-12(5-7-13)14-16-8-9-17(14)10-11-2-1-3-11/h4-9,11H,1-3,10,15H2
InChIKeyKZUNYKSNEOEGLH-UHFFFAOYSA-N
XLogP2.93
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.93
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

2-Phenylimidazole
CID 69591
1H-Imidazole, 2-methyl-1-(phenylmethyl)-
CID 83699
Mifentidine
CID 71263
3-(1H-Imidazol-1-ylmethyl)aniline
CID 6481821
Efetozole
CID 208911
1-(4-Aminobenzyl)-1H-imidazole
CID 1265319
4-Methyl-2-phenyl-1H-imidazole
CID 70012
1-Methyl-5-phenyl-imidazol-2-amine
CID 1132927
1-Methyl-5-phenyl-1H-imidazole
CID 3746343
2,4-Disubstituted Pyrimidine 2c
CID 5329416
5-phenyl-2-undecan-6-yl-1H-imidazole
CID 9944114
1-methyl-4-phenyl-1H-imidazole
CID 2748782

Frequently Asked Questions

What is the IUPAC name of 4-[1-(cyclobutylmethyl)imidazol-2-yl]aniline?
The IUPAC name of 4-[1-(cyclobutylmethyl)imidazol-2-yl]aniline (CID 65458282) is 4-[1-(cyclobutylmethyl)imidazol-2-yl]aniline.
What is the SMILES notation for 4-[1-(cyclobutylmethyl)imidazol-2-yl]aniline?
The canonical SMILES for 4-[1-(cyclobutylmethyl)imidazol-2-yl]aniline is Nc1ccc(-c2nccn2CC2CCC2)cc1.
What is the InChIKey of 4-[1-(cyclobutylmethyl)imidazol-2-yl]aniline?
The InChIKey is KZUNYKSNEOEGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c15-13-6-4-12(5-7-13)14-16-8-9-17(14)10-11-2-1-3-11/h4-9,11H,1-3,10,15H2.
What are the key properties of 4-[1-(cyclobutylmethyl)imidazol-2-yl]aniline?
4-[1-(cyclobutylmethyl)imidazol-2-yl]aniline has a molecular weight of 227.31 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(cyclobutylmethyl)imidazol-2-yl]aniline is sourced from PubChem (CID 65458282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).