1-cyclooctyl-N-phenylimidazol-2-amine

C17H23N3 — CID 106557142

IUPAC1-cyclooctyl-N-phenylimidazol-2-amine
SMILESc1ccc(Nc2nccn2C2CCCCCCC2)cc1
InChIInChI=1S/C17H23N3/c1-2-7-11-16(12-8-3-1)20-14-13-18-17(20)19-15-9-5-4-6-10-15/h4-6,9-10,13-14,16H,1-3,7-8,11-12H2,(H,18,19)
InChIKeyYQBWBILKVLAYIQ-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.91
Rot. Bonds3

About 1-cyclooctyl-N-phenylimidazol-2-amine

1-cyclooctyl-N-phenylimidazol-2-amine (PubChem CID 106557142) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-cyclooctyl-N-phenylimidazol-2-amine.

Molecular Properties

Compound Name1-cyclooctyl-N-phenylimidazol-2-amine
PubChem CID106557142
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name1-cyclooctyl-N-phenylimidazol-2-amine
SMILESc1ccc(Nc2nccn2C2CCCCCCC2)cc1
InChIInChI=1S/C17H23N3/c1-2-7-11-16(12-8-3-1)20-14-13-18-17(20)19-15-9-5-4-6-10-15/h4-6,9-10,13-14,16H,1-3,7-8,11-12H2,(H,18,19)
InChIKeyYQBWBILKVLAYIQ-UHFFFAOYSA-N
XLogP4.91
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Phenylimidazole
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1-(4-Aminobenzyl)-1H-imidazole
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1-(4-Fluorophenyl)imidazole
CID 140833
N-(1H-imidazol-4-ylmethyl)aniline
CID 13178307
4-(2-(Phenylamino)ethyl)-1H-imidazole
CID 46222042
N-[3-(1H-imidazol-1-yl)propyl]-N'-phenylethanediamide
CID 3107634
1-(3-Fluorophenyl)imidazole
CID 2737472
2-(1H-imidazol-1-yl)aniline
CID 320166
1-(2-(1H-imidazol-1-yl)phenyl)methanamine
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Frequently Asked Questions

What is the IUPAC name of 1-cyclooctyl-N-phenylimidazol-2-amine?
The IUPAC name of 1-cyclooctyl-N-phenylimidazol-2-amine (CID 106557142) is 1-cyclooctyl-N-phenylimidazol-2-amine.
What is the SMILES notation for 1-cyclooctyl-N-phenylimidazol-2-amine?
The canonical SMILES for 1-cyclooctyl-N-phenylimidazol-2-amine is c1ccc(Nc2nccn2C2CCCCCCC2)cc1.
What is the InChIKey of 1-cyclooctyl-N-phenylimidazol-2-amine?
The InChIKey is YQBWBILKVLAYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-2-7-11-16(12-8-3-1)20-14-13-18-17(20)19-15-9-5-4-6-10-15/h4-6,9-10,13-14,16H,1-3,7-8,11-12H2,(H,18,19).
What are the key properties of 1-cyclooctyl-N-phenylimidazol-2-amine?
1-cyclooctyl-N-phenylimidazol-2-amine has a molecular weight of 269.39 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclooctyl-N-phenylimidazol-2-amine is sourced from PubChem (CID 106557142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).