N-methyl-N-phenylimidazole-1-carboxamide

C11H11N3O — CID 10998051

IUPACN-methyl-N-phenylimidazole-1-carboxamide
SMILESCN(C(=O)n1ccnc1)c1ccccc1
InChIInChI=1S/C11H11N3O/c1-13(10-5-3-2-4-6-10)11(15)14-8-7-12-9-14/h2-9H,1H3
InChIKeyBJNJXUMEIRTTPI-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.99
Rot. Bonds1

About N-methyl-N-phenylimidazole-1-carboxamide

N-methyl-N-phenylimidazole-1-carboxamide (PubChem CID 10998051) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is N-methyl-N-phenylimidazole-1-carboxamide.

Molecular Properties

Compound NameN-methyl-N-phenylimidazole-1-carboxamide
PubChem CID10998051
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC NameN-methyl-N-phenylimidazole-1-carboxamide
SMILESCN(C(=O)n1ccnc1)c1ccccc1
InChIInChI=1S/C11H11N3O/c1-13(10-5-3-2-4-6-10)11(15)14-8-7-12-9-14/h2-9H,1H3
InChIKeyBJNJXUMEIRTTPI-UHFFFAOYSA-N
XLogP1.99
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenylimidazole-1-carboxamide?
The IUPAC name of N-methyl-N-phenylimidazole-1-carboxamide (CID 10998051) is N-methyl-N-phenylimidazole-1-carboxamide.
What is the SMILES notation for N-methyl-N-phenylimidazole-1-carboxamide?
The canonical SMILES for N-methyl-N-phenylimidazole-1-carboxamide is CN(C(=O)n1ccnc1)c1ccccc1.
What is the InChIKey of N-methyl-N-phenylimidazole-1-carboxamide?
The InChIKey is BJNJXUMEIRTTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c1-13(10-5-3-2-4-6-10)11(15)14-8-7-12-9-14/h2-9H,1H3.
What are the key properties of N-methyl-N-phenylimidazole-1-carboxamide?
N-methyl-N-phenylimidazole-1-carboxamide has a molecular weight of 201.23 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenylimidazole-1-carboxamide is sourced from PubChem (CID 10998051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).