methoxymethyl N-[2-(imidazol-1-ylmethyl)phenyl]carbamate

C13H15N3O3 — CID 57306427

IUPACmethoxymethyl N-[2-(imidazol-1-ylmethyl)phenyl]carbamate
SMILESCOCOC(=O)Nc1ccccc1Cn1ccnc1
InChIInChI=1S/C13H15N3O3/c1-18-10-19-13(17)15-12-5-3-2-4-11(12)8-16-7-6-14-9-16/h2-7,9H,8,10H2,1H3,(H,15,17)
InChIKeyHYICFZHWNSIBHI-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.08
Rot. Bonds5

About methoxymethyl N-[2-(imidazol-1-ylmethyl)phenyl]carbamate

methoxymethyl N-[2-(imidazol-1-ylmethyl)phenyl]carbamate (PubChem CID 57306427) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is methoxymethyl N-[2-(imidazol-1-ylmethyl)phenyl]carbamate.

Molecular Properties

Compound Namemethoxymethyl N-[2-(imidazol-1-ylmethyl)phenyl]carbamate
PubChem CID57306427
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Namemethoxymethyl N-[2-(imidazol-1-ylmethyl)phenyl]carbamate
SMILESCOCOC(=O)Nc1ccccc1Cn1ccnc1
InChIInChI=1S/C13H15N3O3/c1-18-10-19-13(17)15-12-5-3-2-4-11(12)8-16-7-6-14-9-16/h2-7,9H,8,10H2,1H3,(H,15,17)
InChIKeyHYICFZHWNSIBHI-UHFFFAOYSA-N
XLogP2.08
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[2-(imidazol-1-ylmethyl)phenyl]acetate
CID 70825151
methyl 3-[2-(imidazol-1-ylmethyl)phenyl]-2-methyl-3-oxopropanoate
CID 134280288
(2R)-N-[2-(imidazol-1-ylmethyl)phenyl]-2-(4-nitrophenyl)sulfanylpropanamide
CID 52502947
N-[(2-ethyl-4-methoxyphenyl)methyl]-2-(imidazol-1-ylmethyl)aniline
CID 167788715
1-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 55472347
4-amino-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]pentanamide
CID 120564401
N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-3-methoxybenzamide
CID 24650010
[2-(imidazol-1-ylmethyl)phenyl]-phenylmethanone
CID 16747937
2-(imidazol-1-ylmethyl)-N-[1-(2-methoxyethyl)-2-methylindol-5-yl]benzamide
CID 46971062
N'-[2-(imidazol-1-ylmethyl)phenyl]-N-(4,5,6,7-tetrahydro-1H-indol-4-yl)oxamide
CID 167894801
1-(3-ethoxy-4-methoxyphenyl)-3-[[2-(imidazol-1-ylmethyl)phenyl]methyl]urea
CID 55793735
1-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-3-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]urea
CID 56553525

Frequently Asked Questions

What is the IUPAC name of methoxymethyl N-[2-(imidazol-1-ylmethyl)phenyl]carbamate?
The IUPAC name of methoxymethyl N-[2-(imidazol-1-ylmethyl)phenyl]carbamate (CID 57306427) is methoxymethyl N-[2-(imidazol-1-ylmethyl)phenyl]carbamate.
What is the SMILES notation for methoxymethyl N-[2-(imidazol-1-ylmethyl)phenyl]carbamate?
The canonical SMILES for methoxymethyl N-[2-(imidazol-1-ylmethyl)phenyl]carbamate is COCOC(=O)Nc1ccccc1Cn1ccnc1.
What is the InChIKey of methoxymethyl N-[2-(imidazol-1-ylmethyl)phenyl]carbamate?
The InChIKey is HYICFZHWNSIBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-18-10-19-13(17)15-12-5-3-2-4-11(12)8-16-7-6-14-9-16/h2-7,9H,8,10H2,1H3,(H,15,17).
What are the key properties of methoxymethyl N-[2-(imidazol-1-ylmethyl)phenyl]carbamate?
methoxymethyl N-[2-(imidazol-1-ylmethyl)phenyl]carbamate has a molecular weight of 261.28 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethyl N-[2-(imidazol-1-ylmethyl)phenyl]carbamate is sourced from PubChem (CID 57306427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).