[2-(2-phenylimidazol-1-yl)cycloheptyl]methanamine

C17H23N3 — CID 61070468

IUPAC[2-(2-phenylimidazol-1-yl)cycloheptyl]methanamine
SMILESNCC1CCCCCC1n1ccnc1-c1ccccc1
InChIInChI=1S/C17H23N3/c18-13-15-9-5-2-6-10-16(15)20-12-11-19-17(20)14-7-3-1-4-8-14/h1,3-4,7-8,11-12,15-16H,2,5-6,9-10,13,18H2
InChIKeyGLJWZSWHBWVPMI-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.63
Rot. Bonds3

About [2-(2-phenylimidazol-1-yl)cycloheptyl]methanamine

[2-(2-phenylimidazol-1-yl)cycloheptyl]methanamine (PubChem CID 61070468) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is [2-(2-phenylimidazol-1-yl)cycloheptyl]methanamine.

Molecular Properties

Compound Name[2-(2-phenylimidazol-1-yl)cycloheptyl]methanamine
PubChem CID61070468
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name[2-(2-phenylimidazol-1-yl)cycloheptyl]methanamine
SMILESNCC1CCCCCC1n1ccnc1-c1ccccc1
InChIInChI=1S/C17H23N3/c18-13-15-9-5-2-6-10-16(15)20-12-11-19-17(20)14-7-3-1-4-8-14/h1,3-4,7-8,11-12,15-16H,2,5-6,9-10,13,18H2
InChIKeyGLJWZSWHBWVPMI-UHFFFAOYSA-N
XLogP3.63
TPSA43.84 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 ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-phenylimidazol-1-yl)cycloheptan-1-amine
CID 61070661
2,2-dimethyl-6-(2-phenylimidazol-1-yl)cyclohexan-1-amine
CID 79828564
(2-indol-1-ylcycloheptyl)methanamine
CID 43329408
1-[2-(aminomethyl)cyclohexyl]pyridin-2-one
CID 43428508
(3aS,5S,6S,7aR)-2-cyclobutyl-6-(2-phenylimidazol-1-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
CID 171155950
trans-(1R,2R)-2-(2-pyridin-3-ylimidazol-1-yl)cyclohexan-1-ol
CID 133264534
3-[2-(aminomethyl)cyclohexyl]quinazolin-4-one
CID 43428646
9-[4-(1-cyclohexylimidazol-2-yl)phenyl]carbazole
CID 140799922
[2-(4,5-dimethylimidazol-1-yl)cyclopentyl]methanamine
CID 62351594
(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
3-[2-(aminomethyl)cyclopentyl]quinazolin-4-one
CID 43329401
(2-indazol-1-ylcycloheptyl)methanamine
CID 62140360

Frequently Asked Questions

What is the IUPAC name of [2-(2-phenylimidazol-1-yl)cycloheptyl]methanamine?
The IUPAC name of [2-(2-phenylimidazol-1-yl)cycloheptyl]methanamine (CID 61070468) is [2-(2-phenylimidazol-1-yl)cycloheptyl]methanamine.
What is the SMILES notation for [2-(2-phenylimidazol-1-yl)cycloheptyl]methanamine?
The canonical SMILES for [2-(2-phenylimidazol-1-yl)cycloheptyl]methanamine is NCC1CCCCCC1n1ccnc1-c1ccccc1.
What is the InChIKey of [2-(2-phenylimidazol-1-yl)cycloheptyl]methanamine?
The InChIKey is GLJWZSWHBWVPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c18-13-15-9-5-2-6-10-16(15)20-12-11-19-17(20)14-7-3-1-4-8-14/h1,3-4,7-8,11-12,15-16H,2,5-6,9-10,13,18H2.
What are the key properties of [2-(2-phenylimidazol-1-yl)cycloheptyl]methanamine?
[2-(2-phenylimidazol-1-yl)cycloheptyl]methanamine has a molecular weight of 269.39 g/mol, XLogP of 3.63, 3 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)cycloheptyl]methanamine is sourced from PubChem (CID 61070468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).