5-(4-chlorophenyl)-1-cycloheptylimidazol-2-amine

C16H20ClN3 — CID 50941112

IUPAC5-(4-chlorophenyl)-1-cycloheptylimidazol-2-amine
SMILESNc1ncc(-c2ccc(Cl)cc2)n1C1CCCCCC1
InChIInChI=1S/C16H20ClN3/c17-13-9-7-12(8-10-13)15-11-19-16(18)20(15)14-5-3-1-2-4-6-14/h7-11,14H,1-6H2,(H2,18,19)
InChIKeyFCRSGPSWEZNZIB-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.68
Rot. Bonds2

About 5-(4-chlorophenyl)-1-cycloheptylimidazol-2-amine

5-(4-chlorophenyl)-1-cycloheptylimidazol-2-amine (PubChem CID 50941112) has the molecular formula C16H20ClN3 and a molecular weight of 289.81 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1-cycloheptylimidazol-2-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1-cycloheptylimidazol-2-amine
PubChem CID50941112
Molecular FormulaC16H20ClN3
Molecular Weight289.81 g/mol
Exact Mass289.13
IUPAC Name5-(4-chlorophenyl)-1-cycloheptylimidazol-2-amine
SMILESNc1ncc(-c2ccc(Cl)cc2)n1C1CCCCCC1
InChIInChI=1S/C16H20ClN3/c17-13-9-7-12(8-10-13)15-11-19-16(18)20(15)14-5-3-1-2-4-6-14/h7-11,14H,1-6H2,(H2,18,19)
InChIKeyFCRSGPSWEZNZIB-UHFFFAOYSA-N
XLogP4.68
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-chlorophenyl)-1-cyclooctylimidazol-2-amine
CID 50941113
1-cyclopentyl-5-(4-phenylphenyl)imidazol-2-amine
CID 53323392
2-chloro-6-(4-chlorophenyl)-7-cyclopentylpyrrolo[2,3-d]pyrimidine
CID 122372650
2-[5-(4-chlorophenyl)-1-cyclopentylimidazol-2-yl]sulfanyl-N-(4-cyclohexylphenyl)acetamide
CID 3229830
5-(4-chlorophenyl)-1-decylimidazol-2-amine
CID 50941029
5-(4-chlorophenyl)-1-tetradecylimidazol-2-amine
CID 50941055
2-[[2-amino-5-(4-chlorophenyl)imidazol-1-yl]iminomethyl]phenol
CID 135824983
7-(4-chlorophenyl)-6-cyclohexyl-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione
CID 1259511
2-(4-chlorophenyl)pyrimidin-5-amine
CID 609457
3-amino-1-cyclohexyl-6-(4-propan-2-ylphenyl)pyridin-2-one
CID 82466859
2-[[5-(4-chlorophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 3290475
4-(4-chlorophenyl)-3-cyclopentyl-N-(2-nitrophenyl)-1,3-thiazol-2-imine
CID 23931497

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-1-cycloheptylimidazol-2-amine?
The IUPAC name of 5-(4-chlorophenyl)-1-cycloheptylimidazol-2-amine (CID 50941112) is 5-(4-chlorophenyl)-1-cycloheptylimidazol-2-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-1-cycloheptylimidazol-2-amine?
The canonical SMILES for 5-(4-chlorophenyl)-1-cycloheptylimidazol-2-amine is Nc1ncc(-c2ccc(Cl)cc2)n1C1CCCCCC1.
What is the InChIKey of 5-(4-chlorophenyl)-1-cycloheptylimidazol-2-amine?
The InChIKey is FCRSGPSWEZNZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3/c17-13-9-7-12(8-10-13)15-11-19-16(18)20(15)14-5-3-1-2-4-6-14/h7-11,14H,1-6H2,(H2,18,19).
What are the key properties of 5-(4-chlorophenyl)-1-cycloheptylimidazol-2-amine?
5-(4-chlorophenyl)-1-cycloheptylimidazol-2-amine has a molecular weight of 289.81 g/mol, XLogP of 4.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-1-cycloheptylimidazol-2-amine is sourced from PubChem (CID 50941112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).