tert-butyl N-methyl-N-[[5-(4-phenylphenyl)-1H-imidazol-2-yl]methyl]carbamate

C22H25N3O2 — CID 67214930

IUPACtert-butyl N-methyl-N-[[5-(4-phenylphenyl)-1H-imidazol-2-yl]methyl]carbamate
SMILESCN(Cc1ncc(-c2ccc(-c3ccccc3)cc2)[nH]1)C(=O)OC(C)(C)C
InChIInChI=1S/C22H25N3O2/c1-22(2,3)27-21(26)25(4)15-20-23-14-19(24-20)18-12-10-17(11-13-18)16-8-6-5-7-9-16/h5-14H,15H2,1-4H3,(H,23,24)
InChIKeyRQVBMYXJWQXLOL-UHFFFAOYSA-N
MW363.46 g/mol
LogP5.11
Rot. Bonds4

About tert-butyl N-methyl-N-[[5-(4-phenylphenyl)-1H-imidazol-2-yl]methyl]carbamate

tert-butyl N-methyl-N-[[5-(4-phenylphenyl)-1H-imidazol-2-yl]methyl]carbamate (PubChem CID 67214930) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[[5-(4-phenylphenyl)-1H-imidazol-2-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[[5-(4-phenylphenyl)-1H-imidazol-2-yl]methyl]carbamate
PubChem CID67214930
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Nametert-butyl N-methyl-N-[[5-(4-phenylphenyl)-1H-imidazol-2-yl]methyl]carbamate
SMILESCN(Cc1ncc(-c2ccc(-c3ccccc3)cc2)[nH]1)C(=O)OC(C)(C)C
InChIInChI=1S/C22H25N3O2/c1-22(2,3)27-21(26)25(4)15-20-23-14-19(24-20)18-12-10-17(11-13-18)16-8-6-5-7-9-16/h5-14H,15H2,1-4H3,(H,23,24)
InChIKeyRQVBMYXJWQXLOL-UHFFFAOYSA-N
XLogP5.11
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.46
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[[5-(4-bromo-3-methylphenyl)-1H-imidazol-2-yl]methyl]-N-methylcarbamate;ethane;propane
CID 143630179
2-methyl-3-[methyl-[(5-phenyl-1H-imidazol-2-yl)methyl]amino]-3-oxopropanoic acid
CID 122066171
N-methyl-2-(methylamino)-N-[(5-phenyl-1H-imidazol-2-yl)methyl]acetamide
CID 120705058
tert-butyl N-[[5-(4-bromophenyl)-1H-imidazol-2-yl]methyl]-N-propylcarbamate
CID 123310590
2-[methyl-[(5-phenyl-1H-imidazol-2-yl)methyl]amino]propanoic acid
CID 119994891
benzyl N-[[5-[4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]phenyl]-1H-imidazol-2-yl]methyl]-N-propylcarbamate
CID 130414858
[5-(4-phenylphenyl)-1H-imidazol-2-yl]methanethiol
CID 116879175
4-[[methyl-[(5-phenyl-1H-imidazol-2-yl)methyl]carbamoyl]amino]butanoic acid
CID 122022151
tert-butyl N-[3-[[N-ethyl-N'-[(5-phenyl-1H-imidazol-2-yl)methyl]carbamimidoyl]amino]propyl]carbamate
CID 111886899
tert-butyl N-[5-(4-aminophenyl)-1H-imidazol-2-yl]-N-methylcarbamate
CID 90784928
CID 166548601
CID 166548601
benzyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(5-phenyl-1H-imidazol-2-yl)butanoate
CID 20739798

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[[5-(4-phenylphenyl)-1H-imidazol-2-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[[5-(4-phenylphenyl)-1H-imidazol-2-yl]methyl]carbamate (CID 67214930) is tert-butyl N-methyl-N-[[5-(4-phenylphenyl)-1H-imidazol-2-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[[5-(4-phenylphenyl)-1H-imidazol-2-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[[5-(4-phenylphenyl)-1H-imidazol-2-yl]methyl]carbamate is CN(Cc1ncc(-c2ccc(-c3ccccc3)cc2)[nH]1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-[[5-(4-phenylphenyl)-1H-imidazol-2-yl]methyl]carbamate?
The InChIKey is RQVBMYXJWQXLOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-22(2,3)27-21(26)25(4)15-20-23-14-19(24-20)18-12-10-17(11-13-18)16-8-6-5-7-9-16/h5-14H,15H2,1-4H3,(H,23,24).
What are the key properties of tert-butyl N-methyl-N-[[5-(4-phenylphenyl)-1H-imidazol-2-yl]methyl]carbamate?
tert-butyl N-methyl-N-[[5-(4-phenylphenyl)-1H-imidazol-2-yl]methyl]carbamate has a molecular weight of 363.46 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[[5-(4-phenylphenyl)-1H-imidazol-2-yl]methyl]carbamate is sourced from PubChem (CID 67214930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).