5-[5-[1-(cyclohexylmethyl)-5-naphthalen-2-ylimidazol-2-yl]imidazol-1-yl]-N-methylpentan-1-amine

C29H37N5 — CID 162358601

IUPAC5-[5-[1-(cyclohexylmethyl)-5-naphthalen-2-ylimidazol-2-yl]imidazol-1-yl]-N-methylpentan-1-amine
SMILESCNCCCCCn1cncc1-c1ncc(-c2ccc3ccccc3c2)n1CC1CCCCC1
InChIInChI=1S/C29H37N5/c1-30-16-8-3-9-17-33-22-31-19-28(33)29-32-20-27(34(29)21-23-10-4-2-5-11-23)26-15-14-24-12-6-7-13-25(24)18-26/h6-7,12-15,18-20,22-23,30H,2-5,8-11,16-17,21H2,1H3
InChIKeyCQWHTFCPFJQUCE-UHFFFAOYSA-N
MW455.65 g/mol
LogP6.54
Rot. Bonds10

About 5-[5-[1-(cyclohexylmethyl)-5-naphthalen-2-ylimidazol-2-yl]imidazol-1-yl]-N-methylpentan-1-amine

5-[5-[1-(cyclohexylmethyl)-5-naphthalen-2-ylimidazol-2-yl]imidazol-1-yl]-N-methylpentan-1-amine (PubChem CID 162358601) has the molecular formula C29H37N5 and a molecular weight of 455.65 g/mol. Its IUPAC name is 5-[5-[1-(cyclohexylmethyl)-5-naphthalen-2-ylimidazol-2-yl]imidazol-1-yl]-N-methylpentan-1-amine.

Molecular Properties

Compound Name5-[5-[1-(cyclohexylmethyl)-5-naphthalen-2-ylimidazol-2-yl]imidazol-1-yl]-N-methylpentan-1-amine
PubChem CID162358601
Molecular FormulaC29H37N5
Molecular Weight455.65 g/mol
Exact Mass455.30
IUPAC Name5-[5-[1-(cyclohexylmethyl)-5-naphthalen-2-ylimidazol-2-yl]imidazol-1-yl]-N-methylpentan-1-amine
SMILESCNCCCCCn1cncc1-c1ncc(-c2ccc3ccccc3c2)n1CC1CCCCC1
InChIInChI=1S/C29H37N5/c1-30-16-8-3-9-17-33-22-31-19-28(33)29-32-20-27(34(29)21-23-10-4-2-5-11-23)26-15-14-24-12-6-7-13-25(24)18-26/h6-7,12-15,18-20,22-23,30H,2-5,8-11,16-17,21H2,1H3
InChIKeyCQWHTFCPFJQUCE-UHFFFAOYSA-N
XLogP6.54
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.65
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[1-(cyclohexylmethyl)-5-naphthalen-2-ylimidazol-2-yl]imidazol-1-yl]-N-methylpentan-1-amine?
The IUPAC name of 5-[5-[1-(cyclohexylmethyl)-5-naphthalen-2-ylimidazol-2-yl]imidazol-1-yl]-N-methylpentan-1-amine (CID 162358601) is 5-[5-[1-(cyclohexylmethyl)-5-naphthalen-2-ylimidazol-2-yl]imidazol-1-yl]-N-methylpentan-1-amine.
What is the SMILES notation for 5-[5-[1-(cyclohexylmethyl)-5-naphthalen-2-ylimidazol-2-yl]imidazol-1-yl]-N-methylpentan-1-amine?
The canonical SMILES for 5-[5-[1-(cyclohexylmethyl)-5-naphthalen-2-ylimidazol-2-yl]imidazol-1-yl]-N-methylpentan-1-amine is CNCCCCCn1cncc1-c1ncc(-c2ccc3ccccc3c2)n1CC1CCCCC1.
What is the InChIKey of 5-[5-[1-(cyclohexylmethyl)-5-naphthalen-2-ylimidazol-2-yl]imidazol-1-yl]-N-methylpentan-1-amine?
The InChIKey is CQWHTFCPFJQUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N5/c1-30-16-8-3-9-17-33-22-31-19-28(33)29-32-20-27(34(29)21-23-10-4-2-5-11-23)26-15-14-24-12-6-7-13-25(24)18-26/h6-7,12-15,18-20,22-23,30H,2-5,8-11,16-17,21H2,1H3.
What are the key properties of 5-[5-[1-(cyclohexylmethyl)-5-naphthalen-2-ylimidazol-2-yl]imidazol-1-yl]-N-methylpentan-1-amine?
5-[5-[1-(cyclohexylmethyl)-5-naphthalen-2-ylimidazol-2-yl]imidazol-1-yl]-N-methylpentan-1-amine has a molecular weight of 455.65 g/mol, XLogP of 6.54, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[1-(cyclohexylmethyl)-5-naphthalen-2-ylimidazol-2-yl]imidazol-1-yl]-N-methylpentan-1-amine is sourced from PubChem (CID 162358601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).