phenyl N-[6-(2-methyl-4,5-diphenylimidazol-1-yl)hexyl]carbamate

C29H31N3O2 — CID 10204450

IUPACphenyl N-[6-(2-methyl-4,5-diphenylimidazol-1-yl)hexyl]carbamate
SMILESCc1nc(-c2ccccc2)c(-c2ccccc2)n1CCCCCCNC(=O)Oc1ccccc1
InChIInChI=1S/C29H31N3O2/c1-23-31-27(24-15-7-4-8-16-24)28(25-17-9-5-10-18-25)32(23)22-14-3-2-13-21-30-29(33)34-26-19-11-6-12-20-26/h4-12,15-20H,2-3,13-14,21-22H2,1H3,(H,30,33)
InChIKeyKCHOVCICRIAYSX-UHFFFAOYSA-N
MW453.59 g/mol
LogP6.87
Rot. Bonds10

About phenyl N-[6-(2-methyl-4,5-diphenylimidazol-1-yl)hexyl]carbamate

phenyl N-[6-(2-methyl-4,5-diphenylimidazol-1-yl)hexyl]carbamate (PubChem CID 10204450) has the molecular formula C29H31N3O2 and a molecular weight of 453.59 g/mol. Its IUPAC name is phenyl N-[6-(2-methyl-4,5-diphenylimidazol-1-yl)hexyl]carbamate.

Molecular Properties

Compound Namephenyl N-[6-(2-methyl-4,5-diphenylimidazol-1-yl)hexyl]carbamate
PubChem CID10204450
Molecular FormulaC29H31N3O2
Molecular Weight453.59 g/mol
Exact Mass453.24
IUPAC Namephenyl N-[6-(2-methyl-4,5-diphenylimidazol-1-yl)hexyl]carbamate
SMILESCc1nc(-c2ccccc2)c(-c2ccccc2)n1CCCCCCNC(=O)Oc1ccccc1
InChIInChI=1S/C29H31N3O2/c1-23-31-27(24-15-7-4-8-16-24)28(25-17-9-5-10-18-25)32(23)22-14-3-2-13-21-30-29(33)34-26-19-11-6-12-20-26/h4-12,15-20H,2-3,13-14,21-22H2,1H3,(H,30,33)
InChIKeyKCHOVCICRIAYSX-UHFFFAOYSA-N
XLogP6.87
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.59
LogP ≤ 56.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Carbamic acid, N-[6-(2-methyl-4,5-diphenyl-1H-imidazol-1-yl)hexyl]-, 2-fluorophenyl ester
CID 9956414
2-fluorophenyl N-[7-(2-methyl-4,5-diphenyl-1H-imidazol-1-yl)heptan-2-yl]carbamate
CID 10117000
2-fluorophenyl N-{6-[4,5-bis(4-fluorophenyl)-2-methyl-1H-imidazol-1-yl]hexyl}carbamate
CID 10164370
2,6-difluorophenyl N-{6-[4,5-bis(4-fluorophenyl)-2-methyl-1H-imidazol-1-yl]hexyl}carbamate
CID 10186528
2-fluorophenyl N-[8-(2-methyl-4,5-diphenyl-1H-imidazol-1-yl)octan-3-yl]carbamate
CID 10207150
[1-Isopropyl-6-(2-methyl-4,5-diphenyl-imidazol-1-yl)-hexyl]-carbamic acid 2-fluoro-phenyl ester
CID 10301312
2-fluorophenyl N-[6-(2-methyl-4,5-diphenyl-1H-imidazol-1-yl)-1-phenylhexyl]carbamate
CID 20586106
2-(2-Methoxyphenyl)-4,5-diphenyl-1H-imidazole
CID 74782
[5-(4,5-Diphenyl-1H-imidazol-2-ylsulfanyl)-pentyl]-heptyl-carbamic acid phenyl ester
CID 9985162
2-(4-Methoxyphenyl)-4,5-diphenyl-1H-imidazole
CID 788012
2-(3-methoxyphenyl)-4,5-diphenyl-1H-imidazole
CID 3494148
1-{4-[2-(1-Ethyl-1H-1,3-benzodiazol-2-YL)ethyl]phenyl}-3-(3-methoxyphenyl)urea
CID 46382302

Frequently Asked Questions

What is the IUPAC name of phenyl N-[6-(2-methyl-4,5-diphenylimidazol-1-yl)hexyl]carbamate?
The IUPAC name of phenyl N-[6-(2-methyl-4,5-diphenylimidazol-1-yl)hexyl]carbamate (CID 10204450) is phenyl N-[6-(2-methyl-4,5-diphenylimidazol-1-yl)hexyl]carbamate.
What is the SMILES notation for phenyl N-[6-(2-methyl-4,5-diphenylimidazol-1-yl)hexyl]carbamate?
The canonical SMILES for phenyl N-[6-(2-methyl-4,5-diphenylimidazol-1-yl)hexyl]carbamate is Cc1nc(-c2ccccc2)c(-c2ccccc2)n1CCCCCCNC(=O)Oc1ccccc1.
What is the InChIKey of phenyl N-[6-(2-methyl-4,5-diphenylimidazol-1-yl)hexyl]carbamate?
The InChIKey is KCHOVCICRIAYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O2/c1-23-31-27(24-15-7-4-8-16-24)28(25-17-9-5-10-18-25)32(23)22-14-3-2-13-21-30-29(33)34-26-19-11-6-12-20-26/h4-12,15-20H,2-3,13-14,21-22H2,1H3,(H,30,33).
What are the key properties of phenyl N-[6-(2-methyl-4,5-diphenylimidazol-1-yl)hexyl]carbamate?
phenyl N-[6-(2-methyl-4,5-diphenylimidazol-1-yl)hexyl]carbamate has a molecular weight of 453.59 g/mol, XLogP of 6.87, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[6-(2-methyl-4,5-diphenylimidazol-1-yl)hexyl]carbamate is sourced from PubChem (CID 10204450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).