methyl N-(5-phenyl-1H-imidazol-2-yl)carbamate

C11H11N3O2 — CID 141231545

IUPACmethyl N-(5-phenyl-1H-imidazol-2-yl)carbamate
SMILESCOC(=O)Nc1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C11H11N3O2/c1-16-11(15)14-10-12-7-9(13-10)8-5-3-2-4-6-8/h2-7H,1H3,(H2,12,13,14,15)
InChIKeyASNYXKBUANOTIO-UHFFFAOYSA-N
MW217.23 g/mol
LogP2.26
Rot. Bonds2

About methyl N-(5-phenyl-1H-imidazol-2-yl)carbamate

methyl N-(5-phenyl-1H-imidazol-2-yl)carbamate (PubChem CID 141231545) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is methyl N-(5-phenyl-1H-imidazol-2-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(5-phenyl-1H-imidazol-2-yl)carbamate
PubChem CID141231545
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Namemethyl N-(5-phenyl-1H-imidazol-2-yl)carbamate
SMILESCOC(=O)Nc1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C11H11N3O2/c1-16-11(15)14-10-12-7-9(13-10)8-5-3-2-4-6-8/h2-7H,1H3,(H2,12,13,14,15)
InChIKeyASNYXKBUANOTIO-UHFFFAOYSA-N
XLogP2.26
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[5-(1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]carbamate
CID 70628448
N-[5-(4-methylphenyl)-1H-imidazol-2-yl]-4-phenyl-1H-pyrrole-3-carboxamide
CID 56930905
N-[5-(4-methylphenyl)-1H-imidazol-2-yl]-4-phenyl-1H-pyrazole-5-carboxamide
CID 56931422
methyl 3-(5-phenyl-1H-imidazol-2-yl)propanoate
CID 116880424
ethyl 4-[(5-phenyl-1H-imidazol-2-yl)amino]butanoate
CID 139230574
N-[5-(3-aminophenyl)-1H-imidazol-2-yl]benzamide
CID 154687118
1,3-diphenyl-N-(5-phenyl-1H-imidazol-2-yl)pyrazole-4-carboxamide
CID 139226268
N,5-diphenyl-1H-imidazol-2-amine;5-methylbenzene-1,3-dicarboxylic acid
CID 174768058
tert-butyl N-[2-[5-[4-(methoxycarbonylamino)phenyl]-1H-imidazol-2-yl]-1-phenylethyl]carbamate
CID 77201538
bis[(1S)-1-amino-1-(5-phenyl-1H-imidazol-2-yl)ethyl] oxalate
CID 134207850
N-[5-(6-chloro-2-pyridinyl)-1H-imidazol-2-yl]acetamide
CID 170341058
N-(2,6-dichlorophenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 40604658

Frequently Asked Questions

What is the IUPAC name of methyl N-(5-phenyl-1H-imidazol-2-yl)carbamate?
The IUPAC name of methyl N-(5-phenyl-1H-imidazol-2-yl)carbamate (CID 141231545) is methyl N-(5-phenyl-1H-imidazol-2-yl)carbamate.
What is the SMILES notation for methyl N-(5-phenyl-1H-imidazol-2-yl)carbamate?
The canonical SMILES for methyl N-(5-phenyl-1H-imidazol-2-yl)carbamate is COC(=O)Nc1ncc(-c2ccccc2)[nH]1.
What is the InChIKey of methyl N-(5-phenyl-1H-imidazol-2-yl)carbamate?
The InChIKey is ASNYXKBUANOTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-16-11(15)14-10-12-7-9(13-10)8-5-3-2-4-6-8/h2-7H,1H3,(H2,12,13,14,15).
What are the key properties of methyl N-(5-phenyl-1H-imidazol-2-yl)carbamate?
methyl N-(5-phenyl-1H-imidazol-2-yl)carbamate has a molecular weight of 217.23 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(5-phenyl-1H-imidazol-2-yl)carbamate is sourced from PubChem (CID 141231545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).