(2-fluorophenyl) N-[7-(2-methyl-4,5-diphenylimidazol-1-yl)heptan-2-yl]carbamate

C30H32FN3O2 — CID 10117000

IUPAC(2-fluorophenyl) N-[7-(2-methyl-4,5-diphenylimidazol-1-yl)heptan-2-yl]carbamate
SMILESCc1nc(-c2ccccc2)c(-c2ccccc2)n1CCCCCC(C)NC(=O)Oc1ccccc1F
InChIInChI=1S/C30H32FN3O2/c1-22(32-30(35)36-27-20-12-11-19-26(27)31)14-6-5-13-21-34-23(2)33-28(24-15-7-3-8-16-24)29(34)25-17-9-4-10-18-25/h3-4,7-12,15-20,22H,5-6,13-14,21H2,1-2H3,(H,32,35)
InChIKeyLXGNTFODLNMYKQ-UHFFFAOYSA-N
MW485.60 g/mol
LogP7.40
Rot. Bonds10

About (2-fluorophenyl) N-[7-(2-methyl-4,5-diphenylimidazol-1-yl)heptan-2-yl]carbamate

(2-fluorophenyl) N-[7-(2-methyl-4,5-diphenylimidazol-1-yl)heptan-2-yl]carbamate (PubChem CID 10117000) has the molecular formula C30H32FN3O2 and a molecular weight of 485.60 g/mol. Its IUPAC name is (2-fluorophenyl) N-[7-(2-methyl-4,5-diphenylimidazol-1-yl)heptan-2-yl]carbamate.

Molecular Properties

Compound Name(2-fluorophenyl) N-[7-(2-methyl-4,5-diphenylimidazol-1-yl)heptan-2-yl]carbamate
PubChem CID10117000
Molecular FormulaC30H32FN3O2
Molecular Weight485.60 g/mol
Exact Mass485.25
IUPAC Name(2-fluorophenyl) N-[7-(2-methyl-4,5-diphenylimidazol-1-yl)heptan-2-yl]carbamate
SMILESCc1nc(-c2ccccc2)c(-c2ccccc2)n1CCCCCC(C)NC(=O)Oc1ccccc1F
InChIInChI=1S/C30H32FN3O2/c1-22(32-30(35)36-27-20-12-11-19-26(27)31)14-6-5-13-21-34-23(2)33-28(24-15-7-3-8-16-24)29(34)25-17-9-4-10-18-25/h3-4,7-12,15-20,22H,5-6,13-14,21H2,1-2H3,(H,32,35)
InChIKeyLXGNTFODLNMYKQ-UHFFFAOYSA-N
XLogP7.40
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.60
LogP ≤ 57.40
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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Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl) N-[7-(2-methyl-4,5-diphenylimidazol-1-yl)heptan-2-yl]carbamate?
The IUPAC name of (2-fluorophenyl) N-[7-(2-methyl-4,5-diphenylimidazol-1-yl)heptan-2-yl]carbamate (CID 10117000) is (2-fluorophenyl) N-[7-(2-methyl-4,5-diphenylimidazol-1-yl)heptan-2-yl]carbamate.
What is the SMILES notation for (2-fluorophenyl) N-[7-(2-methyl-4,5-diphenylimidazol-1-yl)heptan-2-yl]carbamate?
The canonical SMILES for (2-fluorophenyl) N-[7-(2-methyl-4,5-diphenylimidazol-1-yl)heptan-2-yl]carbamate is Cc1nc(-c2ccccc2)c(-c2ccccc2)n1CCCCCC(C)NC(=O)Oc1ccccc1F.
What is the InChIKey of (2-fluorophenyl) N-[7-(2-methyl-4,5-diphenylimidazol-1-yl)heptan-2-yl]carbamate?
The InChIKey is LXGNTFODLNMYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32FN3O2/c1-22(32-30(35)36-27-20-12-11-19-26(27)31)14-6-5-13-21-34-23(2)33-28(24-15-7-3-8-16-24)29(34)25-17-9-4-10-18-25/h3-4,7-12,15-20,22H,5-6,13-14,21H2,1-2H3,(H,32,35).
What are the key properties of (2-fluorophenyl) N-[7-(2-methyl-4,5-diphenylimidazol-1-yl)heptan-2-yl]carbamate?
(2-fluorophenyl) N-[7-(2-methyl-4,5-diphenylimidazol-1-yl)heptan-2-yl]carbamate has a molecular weight of 485.60 g/mol, XLogP of 7.40, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl) N-[7-(2-methyl-4,5-diphenylimidazol-1-yl)heptan-2-yl]carbamate is sourced from PubChem (CID 10117000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).