2-(2-phenylimidazol-1-yl)cycloheptan-1-amine

C16H21N3 — CID 61070661

IUPAC2-(2-phenylimidazol-1-yl)cycloheptan-1-amine
SMILESNC1CCCCCC1n1ccnc1-c1ccccc1
InChIInChI=1S/C16H21N3/c17-14-9-5-2-6-10-15(14)19-12-11-18-16(19)13-7-3-1-4-8-13/h1,3-4,7-8,11-12,14-15H,2,5-6,9-10,17H2
InChIKeyQFKCXSVFPQPFLB-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.38
Rot. Bonds2

About 2-(2-phenylimidazol-1-yl)cycloheptan-1-amine

2-(2-phenylimidazol-1-yl)cycloheptan-1-amine (PubChem CID 61070661) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 2-(2-phenylimidazol-1-yl)cycloheptan-1-amine.

Molecular Properties

Compound Name2-(2-phenylimidazol-1-yl)cycloheptan-1-amine
PubChem CID61070661
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name2-(2-phenylimidazol-1-yl)cycloheptan-1-amine
SMILESNC1CCCCCC1n1ccnc1-c1ccccc1
InChIInChI=1S/C16H21N3/c17-14-9-5-2-6-10-15(14)19-12-11-18-16(19)13-7-3-1-4-8-13/h1,3-4,7-8,11-12,14-15H,2,5-6,9-10,17H2
InChIKeyQFKCXSVFPQPFLB-UHFFFAOYSA-N
XLogP3.38
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-phenylimidazol-1-yl)cycloheptyl]methanamine
CID 61070468
2,2-dimethyl-6-(2-phenylimidazol-1-yl)cyclohexan-1-amine
CID 79828564
(3aS,5S,6S,7aR)-2-cyclobutyl-6-(2-phenylimidazol-1-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
CID 171155950
9-[4-(1-cyclohexylimidazol-2-yl)phenyl]carbazole
CID 140799922
trans-(1R,2R)-2-(2-pyridin-3-ylimidazol-1-yl)cyclohexan-1-ol
CID 133264534
2-(2-ethylimidazol-1-yl)cyclopentan-1-amine
CID 61405200
(3aS,5S,6S,7aR)-6-(2-phenylimidazol-1-yl)-2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
CID 171155945
2-(4-phenylpyrazol-1-yl)cyclohexan-1-amine
CID 62771847
1-(oxiran-2-ylmethyl)-2-phenylimidazole
CID 61071224
1-cyclooctyl-N-phenylimidazol-2-amine
CID 106557142
ethane;1-methyl-2-phenylimidazole
CID 142155183
trans-(1R,2R)-2-[5-(2-methylphenyl)imidazol-1-yl]cyclohexan-1-amine
CID 102738943

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylimidazol-1-yl)cycloheptan-1-amine?
The IUPAC name of 2-(2-phenylimidazol-1-yl)cycloheptan-1-amine (CID 61070661) is 2-(2-phenylimidazol-1-yl)cycloheptan-1-amine.
What is the SMILES notation for 2-(2-phenylimidazol-1-yl)cycloheptan-1-amine?
The canonical SMILES for 2-(2-phenylimidazol-1-yl)cycloheptan-1-amine is NC1CCCCCC1n1ccnc1-c1ccccc1.
What is the InChIKey of 2-(2-phenylimidazol-1-yl)cycloheptan-1-amine?
The InChIKey is QFKCXSVFPQPFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c17-14-9-5-2-6-10-15(14)19-12-11-18-16(19)13-7-3-1-4-8-13/h1,3-4,7-8,11-12,14-15H,2,5-6,9-10,17H2.
What are the key properties of 2-(2-phenylimidazol-1-yl)cycloheptan-1-amine?
2-(2-phenylimidazol-1-yl)cycloheptan-1-amine has a molecular weight of 255.37 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylimidazol-1-yl)cycloheptan-1-amine is sourced from PubChem (CID 61070661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).