2-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]propanamide

C15H19N3O — CID 48734949

IUPAC2-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]propanamide
SMILESCc1nccn1-c1ccccc1CNC(=O)C(C)C
InChIInChI=1S/C15H19N3O/c1-11(2)15(19)17-10-13-6-4-5-7-14(13)18-9-8-16-12(18)3/h4-9,11H,10H2,1-3H3,(H,17,19)
InChIKeyKOSIXHZDIAGVQR-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.45
Rot. Bonds4

About 2-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]propanamide

2-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]propanamide (PubChem CID 48734949) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]propanamide
PubChem CID48734949
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]propanamide
SMILESCc1nccn1-c1ccccc1CNC(=O)C(C)C
InChIInChI=1S/C15H19N3O/c1-11(2)15(19)17-10-13-6-4-5-7-14(13)18-9-8-16-12(18)3/h4-9,11H,10H2,1-3H3,(H,17,19)
InChIKeyKOSIXHZDIAGVQR-UHFFFAOYSA-N
XLogP2.45
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-benzylsulfanyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]propanamide
CID 92678022
(2S)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2-(3-methylphenoxy)propanamide
CID 92675979
(2R)-2-(4-chlorophenyl)sulfanyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]propanamide
CID 94015798
N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-3-(4-methylphenyl)propanamide
CID 99953800
1-(2,4-difluorophenyl)-3-[[2-(2-methylimidazol-1-yl)phenyl]methyl]urea
CID 47085409
4-[(carbamoylamino)methyl]-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
CID 49083686
N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-3-pyridin-3-ylpropanamide
CID 48735080
3-methoxy-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
CID 28568439
2-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 72936219
1-methyl-3-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-1-[(2S)-2-morpholin-4-ylpropyl]urea
CID 126452651
N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide
CID 50959250
N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2-(N-methylsulfonyl-4-propan-2-ylanilino)acetamide
CID 28637079

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]propanamide?
The IUPAC name of 2-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]propanamide (CID 48734949) is 2-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]propanamide.
What is the SMILES notation for 2-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]propanamide?
The canonical SMILES for 2-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]propanamide is Cc1nccn1-c1ccccc1CNC(=O)C(C)C.
What is the InChIKey of 2-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]propanamide?
The InChIKey is KOSIXHZDIAGVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-11(2)15(19)17-10-13-6-4-5-7-14(13)18-9-8-16-12(18)3/h4-9,11H,10H2,1-3H3,(H,17,19).
What are the key properties of 2-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]propanamide?
2-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]propanamide has a molecular weight of 257.34 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]propanamide is sourced from PubChem (CID 48734949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).