methyl N-[5-(4-hydroxyphenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate

C11H13N3O3 — CID 22756699

IUPACmethyl N-[5-(4-hydroxyphenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate
SMILESCOC(=O)NC1=NCC(c2ccc(O)cc2)N1
InChIInChI=1S/C11H13N3O3/c1-17-11(16)14-10-12-6-9(13-10)7-2-4-8(15)5-3-7/h2-5,9,15H,6H2,1H3,(H2,12,13,14,16)
InChIKeyCCCMYBZGMWPGAX-UHFFFAOYSA-N
MW235.24 g/mol
LogP0.75
Rot. Bonds1

About methyl N-[5-(4-hydroxyphenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate

methyl N-[5-(4-hydroxyphenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate (PubChem CID 22756699) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is methyl N-[5-(4-hydroxyphenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[5-(4-hydroxyphenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate
PubChem CID22756699
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Namemethyl N-[5-(4-hydroxyphenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate
SMILESCOC(=O)NC1=NCC(c2ccc(O)cc2)N1
InChIInChI=1S/C11H13N3O3/c1-17-11(16)14-10-12-6-9(13-10)7-2-4-8(15)5-3-7/h2-5,9,15H,6H2,1H3,(H2,12,13,14,16)
InChIKeyCCCMYBZGMWPGAX-UHFFFAOYSA-N
XLogP0.75
TPSA82.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl N-[5-(4-hydroxyphenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate?
The IUPAC name of methyl N-[5-(4-hydroxyphenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate (CID 22756699) is methyl N-[5-(4-hydroxyphenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate.
What is the SMILES notation for methyl N-[5-(4-hydroxyphenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate?
The canonical SMILES for methyl N-[5-(4-hydroxyphenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate is COC(=O)NC1=NCC(c2ccc(O)cc2)N1.
What is the InChIKey of methyl N-[5-(4-hydroxyphenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate?
The InChIKey is CCCMYBZGMWPGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-17-11(16)14-10-12-6-9(13-10)7-2-4-8(15)5-3-7/h2-5,9,15H,6H2,1H3,(H2,12,13,14,16).
What are the key properties of methyl N-[5-(4-hydroxyphenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate?
methyl N-[5-(4-hydroxyphenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate has a molecular weight of 235.24 g/mol, XLogP of 0.75, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[5-(4-hydroxyphenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate is sourced from PubChem (CID 22756699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).