2-methyl-3-phenyl-2H-imidazole-1-carboxamide

C11H13N3O — CID 174435400

IUPAC2-methyl-3-phenyl-2H-imidazole-1-carboxamide
SMILESCC1N(C(N)=O)C=CN1c1ccccc1
InChIInChI=1S/C11H13N3O/c1-9-13(7-8-14(9)11(12)15)10-5-3-2-4-6-10/h2-9H,1H3,(H2,12,15)
InChIKeyITQAEUIIOOEBDC-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.70
Rot. Bonds1

About 2-methyl-3-phenyl-2H-imidazole-1-carboxamide

2-methyl-3-phenyl-2H-imidazole-1-carboxamide (PubChem CID 174435400) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 2-methyl-3-phenyl-2H-imidazole-1-carboxamide.

Molecular Properties

Compound Name2-methyl-3-phenyl-2H-imidazole-1-carboxamide
PubChem CID174435400
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name2-methyl-3-phenyl-2H-imidazole-1-carboxamide
SMILESCC1N(C(N)=O)C=CN1c1ccccc1
InChIInChI=1S/C11H13N3O/c1-9-13(7-8-14(9)11(12)15)10-5-3-2-4-6-10/h2-9H,1H3,(H2,12,15)
InChIKeyITQAEUIIOOEBDC-UHFFFAOYSA-N
XLogP1.70
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 7560
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N-Methyl-N',N'-diphenylurea
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1-Ebio
CID 82320
1-Methyl-3-phenylurea
CID 13880
1,1-Dimethyl-3-(4-fluorophenyl)urea
CID 9514
N-Ethyl-N-phenylacetamide
CID 10727
1,3-Dimethyl-1,3-diphenylurea
CID 11917
1,1-Diphenylurea
CID 33603
N-Cyclopentyl-N'-phenylurea
CID 25740

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-phenyl-2H-imidazole-1-carboxamide?
The IUPAC name of 2-methyl-3-phenyl-2H-imidazole-1-carboxamide (CID 174435400) is 2-methyl-3-phenyl-2H-imidazole-1-carboxamide.
What is the SMILES notation for 2-methyl-3-phenyl-2H-imidazole-1-carboxamide?
The canonical SMILES for 2-methyl-3-phenyl-2H-imidazole-1-carboxamide is CC1N(C(N)=O)C=CN1c1ccccc1.
What is the InChIKey of 2-methyl-3-phenyl-2H-imidazole-1-carboxamide?
The InChIKey is ITQAEUIIOOEBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-9-13(7-8-14(9)11(12)15)10-5-3-2-4-6-10/h2-9H,1H3,(H2,12,15).
What are the key properties of 2-methyl-3-phenyl-2H-imidazole-1-carboxamide?
2-methyl-3-phenyl-2H-imidazole-1-carboxamide has a molecular weight of 203.25 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-phenyl-2H-imidazole-1-carboxamide is sourced from PubChem (CID 174435400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).