2-(benzotriazol-1-yl)-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]acetamide

C18H22N6O2 — CID 128988094

IUPAC2-(benzotriazol-1-yl)-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]acetamide
SMILESCn1ccnc1C(NC(=O)Cn1nnc2ccccc21)C1CCOCC1
InChIInChI=1S/C18H22N6O2/c1-23-9-8-19-18(23)17(13-6-10-26-11-7-13)20-16(25)12-24-15-5-3-2-4-14(15)21-22-24/h2-5,8-9,13,17H,6-7,10-12H2,1H3,(H,20,25)
InChIKeyLWGURUYNKWWJRO-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.45
Rot. Bonds5

About 2-(benzotriazol-1-yl)-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]acetamide

2-(benzotriazol-1-yl)-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]acetamide (PubChem CID 128988094) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]acetamide
PubChem CID128988094
Molecular FormulaC18H22N6O2
Molecular Weight354.41 g/mol
Exact Mass354.18
IUPAC Name2-(benzotriazol-1-yl)-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]acetamide
SMILESCn1ccnc1C(NC(=O)Cn1nnc2ccccc21)C1CCOCC1
InChIInChI=1S/C18H22N6O2/c1-23-9-8-19-18(23)17(13-6-10-26-11-7-13)20-16(25)12-24-15-5-3-2-4-14(15)21-22-24/h2-5,8-9,13,17H,6-7,10-12H2,1H3,(H,20,25)
InChIKeyLWGURUYNKWWJRO-UHFFFAOYSA-N
XLogP1.45
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-methyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]benzotriazole-5-carboxamide
CID 128988071
N-[(R)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]quinoxaline-2-carboxamide
CID 129487226
1-methyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]benzotriazole-5-carboxamide
CID 154736699
2-methyl-N-[(S)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]propanamide
CID 129487092
2-(4-cyanophenyl)-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]acetamide
CID 128988102
2-(4-fluorophenoxy)-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]acetamide
CID 128988115
6-methyl-N-[(R)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyridine-2-carboxamide
CID 129487208
6-methoxy-N-[(R)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyridazine-3-carboxamide
CID 129487026
N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-4-oxo-4-phenylbutanamide
CID 125176121
2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]acetamide
CID 91779408
1-ethyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrazole-4-carboxamide
CID 154736963
N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-(2-methylimidazol-1-yl)propanamide
CID 125444734

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]acetamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]acetamide (CID 128988094) is 2-(benzotriazol-1-yl)-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]acetamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]acetamide is Cn1ccnc1C(NC(=O)Cn1nnc2ccccc21)C1CCOCC1.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]acetamide?
The InChIKey is LWGURUYNKWWJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2/c1-23-9-8-19-18(23)17(13-6-10-26-11-7-13)20-16(25)12-24-15-5-3-2-4-14(15)21-22-24/h2-5,8-9,13,17H,6-7,10-12H2,1H3,(H,20,25).
What are the key properties of 2-(benzotriazol-1-yl)-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]acetamide?
2-(benzotriazol-1-yl)-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]acetamide has a molecular weight of 354.41 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]acetamide is sourced from PubChem (CID 128988094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).