methyl 5-phenyl-2-[1-(phenylmethoxycarbonylamino)ethyl]-1,4-dihydroimidazole-5-carboxylate

C21H23N3O4 — CID 10385177

IUPACmethyl 5-phenyl-2-[1-(phenylmethoxycarbonylamino)ethyl]-1,4-dihydroimidazole-5-carboxylate
SMILESCOC(=O)C1(c2ccccc2)CN=C(C(C)NC(=O)OCc2ccccc2)N1
InChIInChI=1S/C21H23N3O4/c1-15(23-20(26)28-13-16-9-5-3-6-10-16)18-22-14-21(24-18,19(25)27-2)17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3,(H,22,24)(H,23,26)
InChIKeyLUOHFJQCRDDZMS-UHFFFAOYSA-N
MW381.43 g/mol
LogP2.37
Rot. Bonds6

About methyl 5-phenyl-2-[1-(phenylmethoxycarbonylamino)ethyl]-1,4-dihydroimidazole-5-carboxylate

methyl 5-phenyl-2-[1-(phenylmethoxycarbonylamino)ethyl]-1,4-dihydroimidazole-5-carboxylate (PubChem CID 10385177) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is methyl 5-phenyl-2-[1-(phenylmethoxycarbonylamino)ethyl]-1,4-dihydroimidazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 5-phenyl-2-[1-(phenylmethoxycarbonylamino)ethyl]-1,4-dihydroimidazole-5-carboxylate
PubChem CID10385177
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Namemethyl 5-phenyl-2-[1-(phenylmethoxycarbonylamino)ethyl]-1,4-dihydroimidazole-5-carboxylate
SMILESCOC(=O)C1(c2ccccc2)CN=C(C(C)NC(=O)OCc2ccccc2)N1
InChIInChI=1S/C21H23N3O4/c1-15(23-20(26)28-13-16-9-5-3-6-10-16)18-22-14-21(24-18,19(25)27-2)17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3,(H,22,24)(H,23,26)
InChIKeyLUOHFJQCRDDZMS-UHFFFAOYSA-N
XLogP2.37
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5-phenyl-2-[1-(phenylmethoxycarbonylamino)ethyl]-1,4-dihydroimidazole-5-carboxylate?
The IUPAC name of methyl 5-phenyl-2-[1-(phenylmethoxycarbonylamino)ethyl]-1,4-dihydroimidazole-5-carboxylate (CID 10385177) is methyl 5-phenyl-2-[1-(phenylmethoxycarbonylamino)ethyl]-1,4-dihydroimidazole-5-carboxylate.
What is the SMILES notation for methyl 5-phenyl-2-[1-(phenylmethoxycarbonylamino)ethyl]-1,4-dihydroimidazole-5-carboxylate?
The canonical SMILES for methyl 5-phenyl-2-[1-(phenylmethoxycarbonylamino)ethyl]-1,4-dihydroimidazole-5-carboxylate is COC(=O)C1(c2ccccc2)CN=C(C(C)NC(=O)OCc2ccccc2)N1.
What is the InChIKey of methyl 5-phenyl-2-[1-(phenylmethoxycarbonylamino)ethyl]-1,4-dihydroimidazole-5-carboxylate?
The InChIKey is LUOHFJQCRDDZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-15(23-20(26)28-13-16-9-5-3-6-10-16)18-22-14-21(24-18,19(25)27-2)17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3,(H,22,24)(H,23,26).
What are the key properties of methyl 5-phenyl-2-[1-(phenylmethoxycarbonylamino)ethyl]-1,4-dihydroimidazole-5-carboxylate?
methyl 5-phenyl-2-[1-(phenylmethoxycarbonylamino)ethyl]-1,4-dihydroimidazole-5-carboxylate has a molecular weight of 381.43 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-phenyl-2-[1-(phenylmethoxycarbonylamino)ethyl]-1,4-dihydroimidazole-5-carboxylate is sourced from PubChem (CID 10385177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).