tert-butyl N-(1-benzyl-4-phenylimidazol-2-yl)-N-methylcarbamate

C22H25N3O2 — CID 90795645

IUPACtert-butyl N-(1-benzyl-4-phenylimidazol-2-yl)-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)c1nc(-c2ccccc2)cn1Cc1ccccc1
InChIInChI=1S/C22H25N3O2/c1-22(2,3)27-21(26)24(4)20-23-19(18-13-9-6-10-14-18)16-25(20)15-17-11-7-5-8-12-17/h5-14,16H,15H2,1-4H3
InChIKeyYVSRDGDHYYJXIP-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.97
Rot. Bonds4

About tert-butyl N-(1-benzyl-4-phenylimidazol-2-yl)-N-methylcarbamate

tert-butyl N-(1-benzyl-4-phenylimidazol-2-yl)-N-methylcarbamate (PubChem CID 90795645) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is tert-butyl N-(1-benzyl-4-phenylimidazol-2-yl)-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(1-benzyl-4-phenylimidazol-2-yl)-N-methylcarbamate
PubChem CID90795645
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Nametert-butyl N-(1-benzyl-4-phenylimidazol-2-yl)-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)c1nc(-c2ccccc2)cn1Cc1ccccc1
InChIInChI=1S/C22H25N3O2/c1-22(2,3)27-21(26)24(4)20-23-19(18-13-9-6-10-14-18)16-25(20)15-17-11-7-5-8-12-17/h5-14,16H,15H2,1-4H3
InChIKeyYVSRDGDHYYJXIP-UHFFFAOYSA-N
XLogP4.97
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-benzyl-4-phenylimidazol-2-yl)-N-methylcarbamate?
The IUPAC name of tert-butyl N-(1-benzyl-4-phenylimidazol-2-yl)-N-methylcarbamate (CID 90795645) is tert-butyl N-(1-benzyl-4-phenylimidazol-2-yl)-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-(1-benzyl-4-phenylimidazol-2-yl)-N-methylcarbamate?
The canonical SMILES for tert-butyl N-(1-benzyl-4-phenylimidazol-2-yl)-N-methylcarbamate is CN(C(=O)OC(C)(C)C)c1nc(-c2ccccc2)cn1Cc1ccccc1.
What is the InChIKey of tert-butyl N-(1-benzyl-4-phenylimidazol-2-yl)-N-methylcarbamate?
The InChIKey is YVSRDGDHYYJXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-22(2,3)27-21(26)24(4)20-23-19(18-13-9-6-10-14-18)16-25(20)15-17-11-7-5-8-12-17/h5-14,16H,15H2,1-4H3.
What are the key properties of tert-butyl N-(1-benzyl-4-phenylimidazol-2-yl)-N-methylcarbamate?
tert-butyl N-(1-benzyl-4-phenylimidazol-2-yl)-N-methylcarbamate has a molecular weight of 363.46 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-benzyl-4-phenylimidazol-2-yl)-N-methylcarbamate is sourced from PubChem (CID 90795645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).