N-methyl-3-[(1R)-1-phenylethyl]imidazole-4-carboxamide

C13H15N3O — CID 24828312

IUPACN-methyl-3-[(1R)-1-phenylethyl]imidazole-4-carboxamide
SMILESCNC(=O)c1cncn1[C@H](C)c1ccccc1
InChIInChI=1S/C13H15N3O/c1-10(11-6-4-3-5-7-11)16-9-15-8-12(16)13(17)14-2/h3-10H,1-2H3,(H,14,17)/t10-/m1/s1
InChIKeyMDPACPPRDCVQFQ-SNVBAGLBSA-N
MW229.28 g/mol
LogP1.85
Rot. Bonds3

About N-methyl-3-[(1R)-1-phenylethyl]imidazole-4-carboxamide

N-methyl-3-[(1R)-1-phenylethyl]imidazole-4-carboxamide (PubChem CID 24828312) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is N-methyl-3-[(1R)-1-phenylethyl]imidazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-3-[(1R)-1-phenylethyl]imidazole-4-carboxamide
PubChem CID24828312
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC NameN-methyl-3-[(1R)-1-phenylethyl]imidazole-4-carboxamide
SMILESCNC(=O)c1cncn1[C@H](C)c1ccccc1
InChIInChI=1S/C13H15N3O/c1-10(11-6-4-3-5-7-11)16-9-15-8-12(16)13(17)14-2/h3-10H,1-2H3,(H,14,17)/t10-/m1/s1
InChIKeyMDPACPPRDCVQFQ-SNVBAGLBSA-N
XLogP1.85
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(1R)-1-phenylethyl]imidazole-4-carboxamide?
The IUPAC name of N-methyl-3-[(1R)-1-phenylethyl]imidazole-4-carboxamide (CID 24828312) is N-methyl-3-[(1R)-1-phenylethyl]imidazole-4-carboxamide.
What is the SMILES notation for N-methyl-3-[(1R)-1-phenylethyl]imidazole-4-carboxamide?
The canonical SMILES for N-methyl-3-[(1R)-1-phenylethyl]imidazole-4-carboxamide is CNC(=O)c1cncn1[C@H](C)c1ccccc1.
What is the InChIKey of N-methyl-3-[(1R)-1-phenylethyl]imidazole-4-carboxamide?
The InChIKey is MDPACPPRDCVQFQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H15N3O/c1-10(11-6-4-3-5-7-11)16-9-15-8-12(16)13(17)14-2/h3-10H,1-2H3,(H,14,17)/t10-/m1/s1.
What are the key properties of N-methyl-3-[(1R)-1-phenylethyl]imidazole-4-carboxamide?
N-methyl-3-[(1R)-1-phenylethyl]imidazole-4-carboxamide has a molecular weight of 229.28 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(1R)-1-phenylethyl]imidazole-4-carboxamide is sourced from PubChem (CID 24828312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).