2-[[1-[(1-methylimidazol-2-yl)methyl]triazol-4-yl]methyl-[(1R)-1-phenylethyl]amino]acetamide

C18H23N7O — CID 166252017

IUPAC2-[[1-[(1-methylimidazol-2-yl)methyl]triazol-4-yl]methyl-[(1R)-1-phenylethyl]amino]acetamide
SMILESC[C@H](c1ccccc1)N(CC(N)=O)Cc1cn(Cc2nccn2C)nn1
InChIInChI=1S/C18H23N7O/c1-14(15-6-4-3-5-7-15)24(12-17(19)26)10-16-11-25(22-21-16)13-18-20-8-9-23(18)2/h3-9,11,14H,10,12-13H2,1-2H3,(H2,19,26)/t14-/m1/s1
InChIKeyDBWJTUVKFBBOPI-CQSZACIVSA-N
MW353.43 g/mol
LogP1.11
Rot. Bonds8

About 2-[[1-[(1-methylimidazol-2-yl)methyl]triazol-4-yl]methyl-[(1R)-1-phenylethyl]amino]acetamide

2-[[1-[(1-methylimidazol-2-yl)methyl]triazol-4-yl]methyl-[(1R)-1-phenylethyl]amino]acetamide (PubChem CID 166252017) has the molecular formula C18H23N7O and a molecular weight of 353.43 g/mol. Its IUPAC name is 2-[[1-[(1-methylimidazol-2-yl)methyl]triazol-4-yl]methyl-[(1R)-1-phenylethyl]amino]acetamide.

Molecular Properties

Compound Name2-[[1-[(1-methylimidazol-2-yl)methyl]triazol-4-yl]methyl-[(1R)-1-phenylethyl]amino]acetamide
PubChem CID166252017
Molecular FormulaC18H23N7O
Molecular Weight353.43 g/mol
Exact Mass353.20
IUPAC Name2-[[1-[(1-methylimidazol-2-yl)methyl]triazol-4-yl]methyl-[(1R)-1-phenylethyl]amino]acetamide
SMILESC[C@H](c1ccccc1)N(CC(N)=O)Cc1cn(Cc2nccn2C)nn1
InChIInChI=1S/C18H23N7O/c1-14(15-6-4-3-5-7-15)24(12-17(19)26)10-16-11-25(22-21-16)13-18-20-8-9-23(18)2/h3-9,11,14H,10,12-13H2,1-2H3,(H2,19,26)/t14-/m1/s1
InChIKeyDBWJTUVKFBBOPI-CQSZACIVSA-N
XLogP1.11
TPSA94.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(1-ethyltriazol-4-yl)methyl-[(1R)-1-phenylethyl]amino]acetamide
CID 166252019
2-[[1-(3-methylbut-2-enyl)triazol-4-yl]methyl-[(1R)-1-phenylethyl]amino]acetamide
CID 166252027
1-[(2-chlorophenyl)methyl]-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-yltriazole-4-carboxamide
CID 42528995
3-(1-methylimidazol-2-yl)-1-phenylpropan-1-amine
CID 64503955
3-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-phenylpropanamide
CID 60962958
2-[4-(aminomethyl)triazol-1-yl]-N-[(1-methylimidazol-2-yl)methyl]acetamide
CID 113314181
3-(1-methylimidazol-2-yl)-2-phenylpropanoic acid
CID 81008633
2-[(1-methylimidazol-2-yl)methyl-propan-2-ylamino]acetic acid
CID 60840145
2-methyl-4-(1-methylimidazol-2-yl)-1-phenylbutan-1-one
CID 114528615
2-[4-(aminomethyl)triazol-1-yl]-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide
CID 115459572
2-(3-bromo-3-phenylpropyl)-1-methylimidazole
CID 64509692
2-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]acetic acid
CID 107461789

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(1-methylimidazol-2-yl)methyl]triazol-4-yl]methyl-[(1R)-1-phenylethyl]amino]acetamide?
The IUPAC name of 2-[[1-[(1-methylimidazol-2-yl)methyl]triazol-4-yl]methyl-[(1R)-1-phenylethyl]amino]acetamide (CID 166252017) is 2-[[1-[(1-methylimidazol-2-yl)methyl]triazol-4-yl]methyl-[(1R)-1-phenylethyl]amino]acetamide.
What is the SMILES notation for 2-[[1-[(1-methylimidazol-2-yl)methyl]triazol-4-yl]methyl-[(1R)-1-phenylethyl]amino]acetamide?
The canonical SMILES for 2-[[1-[(1-methylimidazol-2-yl)methyl]triazol-4-yl]methyl-[(1R)-1-phenylethyl]amino]acetamide is C[C@H](c1ccccc1)N(CC(N)=O)Cc1cn(Cc2nccn2C)nn1.
What is the InChIKey of 2-[[1-[(1-methylimidazol-2-yl)methyl]triazol-4-yl]methyl-[(1R)-1-phenylethyl]amino]acetamide?
The InChIKey is DBWJTUVKFBBOPI-CQSZACIVSA-N. The full InChI is InChI=1S/C18H23N7O/c1-14(15-6-4-3-5-7-15)24(12-17(19)26)10-16-11-25(22-21-16)13-18-20-8-9-23(18)2/h3-9,11,14H,10,12-13H2,1-2H3,(H2,19,26)/t14-/m1/s1.
What are the key properties of 2-[[1-[(1-methylimidazol-2-yl)methyl]triazol-4-yl]methyl-[(1R)-1-phenylethyl]amino]acetamide?
2-[[1-[(1-methylimidazol-2-yl)methyl]triazol-4-yl]methyl-[(1R)-1-phenylethyl]amino]acetamide has a molecular weight of 353.43 g/mol, XLogP of 1.11, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(1-methylimidazol-2-yl)methyl]triazol-4-yl]methyl-[(1R)-1-phenylethyl]amino]acetamide is sourced from PubChem (CID 166252017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).