3-[4-(1H-imidazol-2-yl)phenyl]-N-(2-naphthalen-1-ylethyl)cyclohexan-1-amine

C27H29N3 — CID 68736142

IUPAC3-[4-(1H-imidazol-2-yl)phenyl]-N-(2-naphthalen-1-ylethyl)cyclohexan-1-amine
SMILESc1ccc2c(CCNC3CCCC(c4ccc(-c5ncc[nH]5)cc4)C3)cccc2c1
InChIInChI=1S/C27H29N3/c1-2-10-26-21(5-1)6-3-7-22(26)15-16-28-25-9-4-8-24(19-25)20-11-13-23(14-12-20)27-29-17-18-30-27/h1-3,5-7,10-14,17-18,24-25,28H,4,8-9,15-16,19H2,(H,29,30)
InChIKeyFMJSCDOTEVZFFD-UHFFFAOYSA-N
MW395.55 g/mol
LogP6.09
Rot. Bonds6

About 3-[4-(1H-imidazol-2-yl)phenyl]-N-(2-naphthalen-1-ylethyl)cyclohexan-1-amine

3-[4-(1H-imidazol-2-yl)phenyl]-N-(2-naphthalen-1-ylethyl)cyclohexan-1-amine (PubChem CID 68736142) has the molecular formula C27H29N3 and a molecular weight of 395.55 g/mol. Its IUPAC name is 3-[4-(1H-imidazol-2-yl)phenyl]-N-(2-naphthalen-1-ylethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name3-[4-(1H-imidazol-2-yl)phenyl]-N-(2-naphthalen-1-ylethyl)cyclohexan-1-amine
PubChem CID68736142
Molecular FormulaC27H29N3
Molecular Weight395.55 g/mol
Exact Mass395.24
IUPAC Name3-[4-(1H-imidazol-2-yl)phenyl]-N-(2-naphthalen-1-ylethyl)cyclohexan-1-amine
SMILESc1ccc2c(CCNC3CCCC(c4ccc(-c5ncc[nH]5)cc4)C3)cccc2c1
InChIInChI=1S/C27H29N3/c1-2-10-26-21(5-1)6-3-7-22(26)15-16-28-25-9-4-8-24(19-25)20-11-13-23(14-12-20)27-29-17-18-30-27/h1-3,5-7,10-14,17-18,24-25,28H,4,8-9,15-16,19H2,(H,29,30)
InChIKeyFMJSCDOTEVZFFD-UHFFFAOYSA-N
XLogP6.09
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.55
LogP ≤ 56.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(1H-imidazol-2-yl)phenyl]-N-(2-naphthalen-1-ylethyl)cyclohexan-1-amine?
The IUPAC name of 3-[4-(1H-imidazol-2-yl)phenyl]-N-(2-naphthalen-1-ylethyl)cyclohexan-1-amine (CID 68736142) is 3-[4-(1H-imidazol-2-yl)phenyl]-N-(2-naphthalen-1-ylethyl)cyclohexan-1-amine.
What is the SMILES notation for 3-[4-(1H-imidazol-2-yl)phenyl]-N-(2-naphthalen-1-ylethyl)cyclohexan-1-amine?
The canonical SMILES for 3-[4-(1H-imidazol-2-yl)phenyl]-N-(2-naphthalen-1-ylethyl)cyclohexan-1-amine is c1ccc2c(CCNC3CCCC(c4ccc(-c5ncc[nH]5)cc4)C3)cccc2c1.
What is the InChIKey of 3-[4-(1H-imidazol-2-yl)phenyl]-N-(2-naphthalen-1-ylethyl)cyclohexan-1-amine?
The InChIKey is FMJSCDOTEVZFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3/c1-2-10-26-21(5-1)6-3-7-22(26)15-16-28-25-9-4-8-24(19-25)20-11-13-23(14-12-20)27-29-17-18-30-27/h1-3,5-7,10-14,17-18,24-25,28H,4,8-9,15-16,19H2,(H,29,30).
What are the key properties of 3-[4-(1H-imidazol-2-yl)phenyl]-N-(2-naphthalen-1-ylethyl)cyclohexan-1-amine?
3-[4-(1H-imidazol-2-yl)phenyl]-N-(2-naphthalen-1-ylethyl)cyclohexan-1-amine has a molecular weight of 395.55 g/mol, XLogP of 6.09, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1H-imidazol-2-yl)phenyl]-N-(2-naphthalen-1-ylethyl)cyclohexan-1-amine is sourced from PubChem (CID 68736142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).