phenyl N-[2-[4-(2-ethyl-4-pyridin-2-ylimidazol-1-yl)phenyl]ethyl]carbamate

C25H24N4O2 — CID 22291387

IUPACphenyl N-[2-[4-(2-ethyl-4-pyridin-2-ylimidazol-1-yl)phenyl]ethyl]carbamate
SMILESCCc1nc(-c2ccccn2)cn1-c1ccc(CCNC(=O)Oc2ccccc2)cc1
InChIInChI=1S/C25H24N4O2/c1-2-24-28-23(22-10-6-7-16-26-22)18-29(24)20-13-11-19(12-14-20)15-17-27-25(30)31-21-8-4-3-5-9-21/h3-14,16,18H,2,15,17H2,1H3,(H,27,30)
InChIKeyPDJQVCAWGJNVSI-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.83
Rot. Bonds7

About phenyl N-[2-[4-(2-ethyl-4-pyridin-2-ylimidazol-1-yl)phenyl]ethyl]carbamate

phenyl N-[2-[4-(2-ethyl-4-pyridin-2-ylimidazol-1-yl)phenyl]ethyl]carbamate (PubChem CID 22291387) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is phenyl N-[2-[4-(2-ethyl-4-pyridin-2-ylimidazol-1-yl)phenyl]ethyl]carbamate.

Molecular Properties

Compound Namephenyl N-[2-[4-(2-ethyl-4-pyridin-2-ylimidazol-1-yl)phenyl]ethyl]carbamate
PubChem CID22291387
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC Namephenyl N-[2-[4-(2-ethyl-4-pyridin-2-ylimidazol-1-yl)phenyl]ethyl]carbamate
SMILESCCc1nc(-c2ccccn2)cn1-c1ccc(CCNC(=O)Oc2ccccc2)cc1
InChIInChI=1S/C25H24N4O2/c1-2-24-28-23(22-10-6-7-16-26-22)18-29(24)20-13-11-19(12-14-20)15-17-27-25(30)31-21-8-4-3-5-9-21/h3-14,16,18H,2,15,17H2,1H3,(H,27,30)
InChIKeyPDJQVCAWGJNVSI-UHFFFAOYSA-N
XLogP4.83
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Pyrimidinamine, N-(2-methoxyphenyl)-4-(2-phenyl-1H-imidazol-1-yl)-
CID 5329418
2,4-Disubstituted Pyrimidine 2f
CID 5329419
2,4-Disubstituted Pyrimidine 2g
CID 5329420
2-(4-Fluoro-phenoxy)-4-[5-(4-fluoro-phenyl)-3-piperidin-4-yl-3H-imidazol-4-yl]-pyrimidine
CID 9910722
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
phenyl N-[6-(2-methyl-4,5-diphenyl-1H-imidazol-1-yl)hexyl]carbamate
CID 10204450
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-Phenoxy-4-[1-(piperidine-4-yl)-4-(4-fluorophenyl)-5-imidazolyl]pyrimidine
CID 15872388

Frequently Asked Questions

What is the IUPAC name of phenyl N-[2-[4-(2-ethyl-4-pyridin-2-ylimidazol-1-yl)phenyl]ethyl]carbamate?
The IUPAC name of phenyl N-[2-[4-(2-ethyl-4-pyridin-2-ylimidazol-1-yl)phenyl]ethyl]carbamate (CID 22291387) is phenyl N-[2-[4-(2-ethyl-4-pyridin-2-ylimidazol-1-yl)phenyl]ethyl]carbamate.
What is the SMILES notation for phenyl N-[2-[4-(2-ethyl-4-pyridin-2-ylimidazol-1-yl)phenyl]ethyl]carbamate?
The canonical SMILES for phenyl N-[2-[4-(2-ethyl-4-pyridin-2-ylimidazol-1-yl)phenyl]ethyl]carbamate is CCc1nc(-c2ccccn2)cn1-c1ccc(CCNC(=O)Oc2ccccc2)cc1.
What is the InChIKey of phenyl N-[2-[4-(2-ethyl-4-pyridin-2-ylimidazol-1-yl)phenyl]ethyl]carbamate?
The InChIKey is PDJQVCAWGJNVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2/c1-2-24-28-23(22-10-6-7-16-26-22)18-29(24)20-13-11-19(12-14-20)15-17-27-25(30)31-21-8-4-3-5-9-21/h3-14,16,18H,2,15,17H2,1H3,(H,27,30).
What are the key properties of phenyl N-[2-[4-(2-ethyl-4-pyridin-2-ylimidazol-1-yl)phenyl]ethyl]carbamate?
phenyl N-[2-[4-(2-ethyl-4-pyridin-2-ylimidazol-1-yl)phenyl]ethyl]carbamate has a molecular weight of 412.49 g/mol, XLogP of 4.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[2-[4-(2-ethyl-4-pyridin-2-ylimidazol-1-yl)phenyl]ethyl]carbamate is sourced from PubChem (CID 22291387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).