phenyl N-(1H-imidazol-2-ylmethyl)-N-methylcarbamate

C12H13N3O2 — CID 63939472

IUPACphenyl N-(1H-imidazol-2-ylmethyl)-N-methylcarbamate
SMILESCN(Cc1ncc[nH]1)C(=O)Oc1ccccc1
InChIInChI=1S/C12H13N3O2/c1-15(9-11-13-7-8-14-11)12(16)17-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,13,14)
InChIKeySNVIWTPFXDKDCX-UHFFFAOYSA-N
MW231.26 g/mol
LogP2.04
Rot. Bonds3

About phenyl N-(1H-imidazol-2-ylmethyl)-N-methylcarbamate

phenyl N-(1H-imidazol-2-ylmethyl)-N-methylcarbamate (PubChem CID 63939472) has the molecular formula C12H13N3O2 and a molecular weight of 231.26 g/mol. Its IUPAC name is phenyl N-(1H-imidazol-2-ylmethyl)-N-methylcarbamate.

Molecular Properties

Compound Namephenyl N-(1H-imidazol-2-ylmethyl)-N-methylcarbamate
PubChem CID63939472
Molecular FormulaC12H13N3O2
Molecular Weight231.26 g/mol
Exact Mass231.10
IUPAC Namephenyl N-(1H-imidazol-2-ylmethyl)-N-methylcarbamate
SMILESCN(Cc1ncc[nH]1)C(=O)Oc1ccccc1
InChIInChI=1S/C12H13N3O2/c1-15(9-11-13-7-8-14-11)12(16)17-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,13,14)
InChIKeySNVIWTPFXDKDCX-UHFFFAOYSA-N
XLogP2.04
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

phenyl N-methyl-N-[2-[methyl(phenoxycarbonyl)amino]ethyl]carbamate
CID 124926393
2-amino-N-(1H-imidazol-2-ylmethyl)-N-methyl-2-phenylpropanamide
CID 64519424
N-(1H-imidazol-2-ylmethyl)-N-methyl-2-phenylpyrimidine-5-carboxamide
CID 50954561
4-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]benzoic acid
CID 64519669
N-(1H-imidazol-2-ylmethyl)-N-methyl-2-naphthalen-2-ylacetamide
CID 63929126
phenyl N-methyl-N-(2-pyridin-2-ylethyl)carbamate
CID 60681158
3-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]benzoic acid
CID 64516965
N-(1H-imidazol-2-ylmethyl)-N-methylnaphthalene-1-carboxamide
CID 63928694
N-(1H-imidazol-2-ylmethyl)-N,2-dimethylpropanamide
CID 63929546
2-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide
CID 64511880
N-(1H-imidazol-2-ylmethyl)-N-methyl-3-phenyl-1H-pyrazole-5-carboxamide
CID 63928491
2-(4-aminophenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide
CID 64512909

Frequently Asked Questions

What is the IUPAC name of phenyl N-(1H-imidazol-2-ylmethyl)-N-methylcarbamate?
The IUPAC name of phenyl N-(1H-imidazol-2-ylmethyl)-N-methylcarbamate (CID 63939472) is phenyl N-(1H-imidazol-2-ylmethyl)-N-methylcarbamate.
What is the SMILES notation for phenyl N-(1H-imidazol-2-ylmethyl)-N-methylcarbamate?
The canonical SMILES for phenyl N-(1H-imidazol-2-ylmethyl)-N-methylcarbamate is CN(Cc1ncc[nH]1)C(=O)Oc1ccccc1.
What is the InChIKey of phenyl N-(1H-imidazol-2-ylmethyl)-N-methylcarbamate?
The InChIKey is SNVIWTPFXDKDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-15(9-11-13-7-8-14-11)12(16)17-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,13,14).
What are the key properties of phenyl N-(1H-imidazol-2-ylmethyl)-N-methylcarbamate?
phenyl N-(1H-imidazol-2-ylmethyl)-N-methylcarbamate has a molecular weight of 231.26 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(1H-imidazol-2-ylmethyl)-N-methylcarbamate is sourced from PubChem (CID 63939472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).