1-(cyclohexylmethyl)-2-(3-hexyl-2-methylimidazol-4-yl)-5-naphthalen-2-ylimidazole

C30H38N4 — CID 162358590

IUPAC1-(cyclohexylmethyl)-2-(3-hexyl-2-methylimidazol-4-yl)-5-naphthalen-2-ylimidazole
SMILESCCCCCCn1c(-c2ncc(-c3ccc4ccccc4c3)n2CC2CCCCC2)cnc1C
InChIInChI=1S/C30H38N4/c1-3-4-5-11-18-33-23(2)31-21-29(33)30-32-20-28(34(30)22-24-12-7-6-8-13-24)27-17-16-25-14-9-10-15-26(25)19-27/h9-10,14-17,19-21,24H,3-8,11-13,18,22H2,1-2H3
InChIKeyUXBVBKPKCJKOMK-UHFFFAOYSA-N
MW454.66 g/mol
LogP8.04
Rot. Bonds9

About 1-(cyclohexylmethyl)-2-(3-hexyl-2-methylimidazol-4-yl)-5-naphthalen-2-ylimidazole

1-(cyclohexylmethyl)-2-(3-hexyl-2-methylimidazol-4-yl)-5-naphthalen-2-ylimidazole (PubChem CID 162358590) has the molecular formula C30H38N4 and a molecular weight of 454.66 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-2-(3-hexyl-2-methylimidazol-4-yl)-5-naphthalen-2-ylimidazole.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-2-(3-hexyl-2-methylimidazol-4-yl)-5-naphthalen-2-ylimidazole
PubChem CID162358590
Molecular FormulaC30H38N4
Molecular Weight454.66 g/mol
Exact Mass454.31
IUPAC Name1-(cyclohexylmethyl)-2-(3-hexyl-2-methylimidazol-4-yl)-5-naphthalen-2-ylimidazole
SMILESCCCCCCn1c(-c2ncc(-c3ccc4ccccc4c3)n2CC2CCCCC2)cnc1C
InChIInChI=1S/C30H38N4/c1-3-4-5-11-18-33-23(2)31-21-29(33)30-32-20-28(34(30)22-24-12-7-6-8-13-24)27-17-16-25-14-9-10-15-26(25)19-27/h9-10,14-17,19-21,24H,3-8,11-13,18,22H2,1-2H3
InChIKeyUXBVBKPKCJKOMK-UHFFFAOYSA-N
XLogP8.04
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.66
LogP ≤ 58.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(3-Cyano-benzyl)-(3-methyl-3H-imidazol-4-ylmethyl)-amino]-2-naphthalen-1-YL-benzonitrile
CID 447390
1-methyl-5-(2-naphthyl)-1H-imidazole
CID 11550235
1-phenyl-2-(p-tolyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium bromide
CID 16682272
1-({1-[(4-cyanophenyl)methyl]-1H-imidazol-5-yl}methyl)-5-(naphthalen-1-yl)-1H-indole-4-carbonitrile
CID 11408635
1-({1-[(4-cyanophenyl)methyl]-1H-imidazol-5-yl}methyl)-4-(naphthalen-1-yl)-1H-pyrrole-3-carbonitrile
CID 23646776
4-[(5-{[5-(naphthalen-1-yl)-1H-indol-1-yl]methyl}-1H-imidazol-1-yl)methyl]benzonitrile
CID 23646778
1-(4-Cyanobenzyl)-5-(2-methylphenyl)-1H-imidazole
CID 44187006
1-[(4-Cyano-phenyl)-(3-methyl-3H-imidazol-4-yl)-methyl]-5-naphthalen-1-yl-1,2,3,6-tetrahydro-pyridine-4-carbonitrile
CID 44277534
5H-Imidazo[2,1-a]isoindole, 2-phenyl-
CID 162928
1-(mesitylmethyl)-1H-benzimidazole
CID 955210
1-(4-Cyanobenzyl)-5-(3-methylphenyl)-1H-imidazole
CID 45103913
4-{[(4-Cyano-3-naphthalen-1-yl-phenyl)-(3-methyl-3H-imidazol-4-ylmethyl)-amino]-methyl}-pyridine-2-carbonitrile
CID 44278100

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-2-(3-hexyl-2-methylimidazol-4-yl)-5-naphthalen-2-ylimidazole?
The IUPAC name of 1-(cyclohexylmethyl)-2-(3-hexyl-2-methylimidazol-4-yl)-5-naphthalen-2-ylimidazole (CID 162358590) is 1-(cyclohexylmethyl)-2-(3-hexyl-2-methylimidazol-4-yl)-5-naphthalen-2-ylimidazole.
What is the SMILES notation for 1-(cyclohexylmethyl)-2-(3-hexyl-2-methylimidazol-4-yl)-5-naphthalen-2-ylimidazole?
The canonical SMILES for 1-(cyclohexylmethyl)-2-(3-hexyl-2-methylimidazol-4-yl)-5-naphthalen-2-ylimidazole is CCCCCCn1c(-c2ncc(-c3ccc4ccccc4c3)n2CC2CCCCC2)cnc1C.
What is the InChIKey of 1-(cyclohexylmethyl)-2-(3-hexyl-2-methylimidazol-4-yl)-5-naphthalen-2-ylimidazole?
The InChIKey is UXBVBKPKCJKOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N4/c1-3-4-5-11-18-33-23(2)31-21-29(33)30-32-20-28(34(30)22-24-12-7-6-8-13-24)27-17-16-25-14-9-10-15-26(25)19-27/h9-10,14-17,19-21,24H,3-8,11-13,18,22H2,1-2H3.
What are the key properties of 1-(cyclohexylmethyl)-2-(3-hexyl-2-methylimidazol-4-yl)-5-naphthalen-2-ylimidazole?
1-(cyclohexylmethyl)-2-(3-hexyl-2-methylimidazol-4-yl)-5-naphthalen-2-ylimidazole has a molecular weight of 454.66 g/mol, XLogP of 8.04, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-2-(3-hexyl-2-methylimidazol-4-yl)-5-naphthalen-2-ylimidazole is sourced from PubChem (CID 162358590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).