3-[5-(2,5-dichlorophenyl)-1H-imidazol-2-yl]cyclohexan-1-amine

C15H17Cl2N3 — CID 63046479

IUPAC3-[5-(2,5-dichlorophenyl)-1H-imidazol-2-yl]cyclohexan-1-amine
SMILESNC1CCCC(c2ncc(-c3cc(Cl)ccc3Cl)[nH]2)C1
InChIInChI=1S/C15H17Cl2N3/c16-10-4-5-13(17)12(7-10)14-8-19-15(20-14)9-2-1-3-11(18)6-9/h4-5,7-9,11H,1-3,6,18H2,(H,19,20)
InChIKeyGIAPWLWSLVZMFT-UHFFFAOYSA-N
MW310.23 g/mol
LogP4.37
Rot. Bonds2

About 3-[5-(2,5-dichlorophenyl)-1H-imidazol-2-yl]cyclohexan-1-amine

3-[5-(2,5-dichlorophenyl)-1H-imidazol-2-yl]cyclohexan-1-amine (PubChem CID 63046479) has the molecular formula C15H17Cl2N3 and a molecular weight of 310.23 g/mol. Its IUPAC name is 3-[5-(2,5-dichlorophenyl)-1H-imidazol-2-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-[5-(2,5-dichlorophenyl)-1H-imidazol-2-yl]cyclohexan-1-amine
PubChem CID63046479
Molecular FormulaC15H17Cl2N3
Molecular Weight310.23 g/mol
Exact Mass309.08
IUPAC Name3-[5-(2,5-dichlorophenyl)-1H-imidazol-2-yl]cyclohexan-1-amine
SMILESNC1CCCC(c2ncc(-c3cc(Cl)ccc3Cl)[nH]2)C1
InChIInChI=1S/C15H17Cl2N3/c16-10-4-5-13(17)12(7-10)14-8-19-15(20-14)9-2-1-3-11(18)6-9/h4-5,7-9,11H,1-3,6,18H2,(H,19,20)
InChIKeyGIAPWLWSLVZMFT-UHFFFAOYSA-N
XLogP4.37
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,5-dichlorophenyl)-1H-imidazol-2-yl]cyclohexan-1-amine?
The IUPAC name of 3-[5-(2,5-dichlorophenyl)-1H-imidazol-2-yl]cyclohexan-1-amine (CID 63046479) is 3-[5-(2,5-dichlorophenyl)-1H-imidazol-2-yl]cyclohexan-1-amine.
What is the SMILES notation for 3-[5-(2,5-dichlorophenyl)-1H-imidazol-2-yl]cyclohexan-1-amine?
The canonical SMILES for 3-[5-(2,5-dichlorophenyl)-1H-imidazol-2-yl]cyclohexan-1-amine is NC1CCCC(c2ncc(-c3cc(Cl)ccc3Cl)[nH]2)C1.
What is the InChIKey of 3-[5-(2,5-dichlorophenyl)-1H-imidazol-2-yl]cyclohexan-1-amine?
The InChIKey is GIAPWLWSLVZMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N3/c16-10-4-5-13(17)12(7-10)14-8-19-15(20-14)9-2-1-3-11(18)6-9/h4-5,7-9,11H,1-3,6,18H2,(H,19,20).
What are the key properties of 3-[5-(2,5-dichlorophenyl)-1H-imidazol-2-yl]cyclohexan-1-amine?
3-[5-(2,5-dichlorophenyl)-1H-imidazol-2-yl]cyclohexan-1-amine has a molecular weight of 310.23 g/mol, XLogP of 4.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,5-dichlorophenyl)-1H-imidazol-2-yl]cyclohexan-1-amine is sourced from PubChem (CID 63046479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).