ethyl N-[5-(2-methyl-4,5-diphenylimidazol-1-yl)pentyl]carbamate

C24H29N3O2 — CID 10293867

IUPACethyl N-[5-(2-methyl-4,5-diphenylimidazol-1-yl)pentyl]carbamate
SMILESCCOC(=O)NCCCCCn1c(C)nc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C24H29N3O2/c1-3-29-24(28)25-17-11-6-12-18-27-19(2)26-22(20-13-7-4-8-14-20)23(27)21-15-9-5-10-16-21/h4-5,7-10,13-16H,3,6,11-12,17-18H2,1-2H3,(H,25,28)
InChIKeyVZSXUVQCPYUMAW-UHFFFAOYSA-N
MW391.52 g/mol
LogP5.44
Rot. Bonds9

About ethyl N-[5-(2-methyl-4,5-diphenylimidazol-1-yl)pentyl]carbamate

ethyl N-[5-(2-methyl-4,5-diphenylimidazol-1-yl)pentyl]carbamate (PubChem CID 10293867) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is ethyl N-[5-(2-methyl-4,5-diphenylimidazol-1-yl)pentyl]carbamate.

Molecular Properties

Compound Nameethyl N-[5-(2-methyl-4,5-diphenylimidazol-1-yl)pentyl]carbamate
PubChem CID10293867
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Nameethyl N-[5-(2-methyl-4,5-diphenylimidazol-1-yl)pentyl]carbamate
SMILESCCOC(=O)NCCCCCn1c(C)nc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C24H29N3O2/c1-3-29-24(28)25-17-11-6-12-18-27-19(2)26-22(20-13-7-4-8-14-20)23(27)21-15-9-5-10-16-21/h4-5,7-10,13-16H,3,6,11-12,17-18H2,1-2H3,(H,25,28)
InChIKeyVZSXUVQCPYUMAW-UHFFFAOYSA-N
XLogP5.44
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.52
LogP ≤ 55.44
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 ethyl N-[5-(2-methyl-4,5-diphenylimidazol-1-yl)pentyl]carbamate?
The IUPAC name of ethyl N-[5-(2-methyl-4,5-diphenylimidazol-1-yl)pentyl]carbamate (CID 10293867) is ethyl N-[5-(2-methyl-4,5-diphenylimidazol-1-yl)pentyl]carbamate.
What is the SMILES notation for ethyl N-[5-(2-methyl-4,5-diphenylimidazol-1-yl)pentyl]carbamate?
The canonical SMILES for ethyl N-[5-(2-methyl-4,5-diphenylimidazol-1-yl)pentyl]carbamate is CCOC(=O)NCCCCCn1c(C)nc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of ethyl N-[5-(2-methyl-4,5-diphenylimidazol-1-yl)pentyl]carbamate?
The InChIKey is VZSXUVQCPYUMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-3-29-24(28)25-17-11-6-12-18-27-19(2)26-22(20-13-7-4-8-14-20)23(27)21-15-9-5-10-16-21/h4-5,7-10,13-16H,3,6,11-12,17-18H2,1-2H3,(H,25,28).
What are the key properties of ethyl N-[5-(2-methyl-4,5-diphenylimidazol-1-yl)pentyl]carbamate?
ethyl N-[5-(2-methyl-4,5-diphenylimidazol-1-yl)pentyl]carbamate has a molecular weight of 391.52 g/mol, XLogP of 5.44, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[5-(2-methyl-4,5-diphenylimidazol-1-yl)pentyl]carbamate is sourced from PubChem (CID 10293867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).