tert-butyl 4-[4-[[4-(cyclopropanecarbonylamino)phenyl]methoxy]phenyl]imidazole-1-carboxylate

C25H27N3O4 — CID 167473977

IUPACtert-butyl 4-[4-[[4-(cyclopropanecarbonylamino)phenyl]methoxy]phenyl]imidazole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1cnc(-c2ccc(OCc3ccc(NC(=O)C4CC4)cc3)cc2)c1
InChIInChI=1S/C25H27N3O4/c1-25(2,3)32-24(30)28-14-22(26-16-28)18-8-12-21(13-9-18)31-15-17-4-10-20(11-5-17)27-23(29)19-6-7-19/h4-5,8-14,16,19H,6-7,15H2,1-3H3,(H,27,29)
InChIKeyVWGSLOYIUSMRNY-UHFFFAOYSA-N
MW433.51 g/mol
LogP5.26
Rot. Bonds6

About tert-butyl 4-[4-[[4-(cyclopropanecarbonylamino)phenyl]methoxy]phenyl]imidazole-1-carboxylate

tert-butyl 4-[4-[[4-(cyclopropanecarbonylamino)phenyl]methoxy]phenyl]imidazole-1-carboxylate (PubChem CID 167473977) has the molecular formula C25H27N3O4 and a molecular weight of 433.51 g/mol. Its IUPAC name is tert-butyl 4-[4-[[4-(cyclopropanecarbonylamino)phenyl]methoxy]phenyl]imidazole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[4-[[4-(cyclopropanecarbonylamino)phenyl]methoxy]phenyl]imidazole-1-carboxylate
PubChem CID167473977
Molecular FormulaC25H27N3O4
Molecular Weight433.51 g/mol
Exact Mass433.20
IUPAC Nametert-butyl 4-[4-[[4-(cyclopropanecarbonylamino)phenyl]methoxy]phenyl]imidazole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1cnc(-c2ccc(OCc3ccc(NC(=O)C4CC4)cc3)cc2)c1
InChIInChI=1S/C25H27N3O4/c1-25(2,3)32-24(30)28-14-22(26-16-28)18-8-12-21(13-9-18)31-15-17-4-10-20(11-5-17)27-23(29)19-6-7-19/h4-5,8-14,16,19H,6-7,15H2,1-3H3,(H,27,29)
InChIKeyVWGSLOYIUSMRNY-UHFFFAOYSA-N
XLogP5.26
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.51
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 167474074
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CID 167474178
N-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]cyclopropanecarboxamide
CID 60522254
tert-butyl 4-phenylimidazole-1-carboxylate
CID 141103955
N-[4-(4-phenylmethoxyanilino)phenyl]cyclopropanecarboxamide
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tert-butyl N-[4-[[3,5-bis[(4-cyanophenyl)methoxy]phenyl]carbamoyl]cyclohexyl]carbamate
CID 66819115
1-(4-tert-butylbenzoyl)-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide
CID 1003986
4-N-(4-phenylmethoxyphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
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N-[4-methyl-3-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]phenyl]cyclopropanecarboxamide
CID 46487328
N-[4-(2-methylprop-2-enoxy)phenyl]cyclopropanecarboxamide
CID 17097627
1-methylsulfonyl-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide
CID 1082619

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-[[4-(cyclopropanecarbonylamino)phenyl]methoxy]phenyl]imidazole-1-carboxylate?
The IUPAC name of tert-butyl 4-[4-[[4-(cyclopropanecarbonylamino)phenyl]methoxy]phenyl]imidazole-1-carboxylate (CID 167473977) is tert-butyl 4-[4-[[4-(cyclopropanecarbonylamino)phenyl]methoxy]phenyl]imidazole-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[4-[[4-(cyclopropanecarbonylamino)phenyl]methoxy]phenyl]imidazole-1-carboxylate?
The canonical SMILES for tert-butyl 4-[4-[[4-(cyclopropanecarbonylamino)phenyl]methoxy]phenyl]imidazole-1-carboxylate is CC(C)(C)OC(=O)n1cnc(-c2ccc(OCc3ccc(NC(=O)C4CC4)cc3)cc2)c1.
What is the InChIKey of tert-butyl 4-[4-[[4-(cyclopropanecarbonylamino)phenyl]methoxy]phenyl]imidazole-1-carboxylate?
The InChIKey is VWGSLOYIUSMRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4/c1-25(2,3)32-24(30)28-14-22(26-16-28)18-8-12-21(13-9-18)31-15-17-4-10-20(11-5-17)27-23(29)19-6-7-19/h4-5,8-14,16,19H,6-7,15H2,1-3H3,(H,27,29).
What are the key properties of tert-butyl 4-[4-[[4-(cyclopropanecarbonylamino)phenyl]methoxy]phenyl]imidazole-1-carboxylate?
tert-butyl 4-[4-[[4-(cyclopropanecarbonylamino)phenyl]methoxy]phenyl]imidazole-1-carboxylate has a molecular weight of 433.51 g/mol, XLogP of 5.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[4-[[4-(cyclopropanecarbonylamino)phenyl]methoxy]phenyl]imidazole-1-carboxylate is sourced from PubChem (CID 167473977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).