1-methyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]benzotriazole-5-carboxamide

C18H22N6O2 — CID 154736699

IUPAC1-methyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]benzotriazole-5-carboxamide
SMILESCn1ccnc1C(NC(=O)c1ccc2c(c1)nnn2C)C1CCOCC1
InChIInChI=1S/C18H22N6O2/c1-23-8-7-19-17(23)16(12-5-9-26-10-6-12)20-18(25)13-3-4-15-14(11-13)21-22-24(15)2/h3-4,7-8,11-12,16H,5-6,9-10H2,1-2H3,(H,20,25)
InChIKeyUBDRMUUPVOVTPM-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.60
Rot. Bonds4

About 1-methyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]benzotriazole-5-carboxamide

1-methyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]benzotriazole-5-carboxamide (PubChem CID 154736699) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 1-methyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]benzotriazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]benzotriazole-5-carboxamide
PubChem CID154736699
Molecular FormulaC18H22N6O2
Molecular Weight354.41 g/mol
Exact Mass354.18
IUPAC Name1-methyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]benzotriazole-5-carboxamide
SMILESCn1ccnc1C(NC(=O)c1ccc2c(c1)nnn2C)C1CCOCC1
InChIInChI=1S/C18H22N6O2/c1-23-8-7-19-17(23)16(12-5-9-26-10-6-12)20-18(25)13-3-4-15-14(11-13)21-22-24(15)2/h3-4,7-8,11-12,16H,5-6,9-10H2,1-2H3,(H,20,25)
InChIKeyUBDRMUUPVOVTPM-UHFFFAOYSA-N
XLogP1.60
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-methyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]benzotriazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]benzotriazole-5-carboxamide
CID 128988071
N-[(S)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyridine-4-carboxamide
CID 129487211
N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 128988058
N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]imidazo[1,5-a]pyridine-6-carboxamide
CID 167871599
6-methoxy-N-[(R)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyridazine-3-carboxamide
CID 129487026
5-methyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrazine-2-carboxamide
CID 128988052
2-(benzotriazol-1-yl)-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]acetamide
CID 128988094
2-methyl-N-[(S)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]propanamide
CID 129487092
1-ethyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrazole-4-carboxamide
CID 154736963
N-[(R)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]quinoxaline-2-carboxamide
CID 129487226
4-ethyl-N-[(R)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyridine-2-carboxamide
CID 129487085
6-methyl-N-[(R)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyridine-2-carboxamide
CID 129487208

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]benzotriazole-5-carboxamide?
The IUPAC name of 1-methyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]benzotriazole-5-carboxamide (CID 154736699) is 1-methyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]benzotriazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]benzotriazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]benzotriazole-5-carboxamide is Cn1ccnc1C(NC(=O)c1ccc2c(c1)nnn2C)C1CCOCC1.
What is the InChIKey of 1-methyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]benzotriazole-5-carboxamide?
The InChIKey is UBDRMUUPVOVTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2/c1-23-8-7-19-17(23)16(12-5-9-26-10-6-12)20-18(25)13-3-4-15-14(11-13)21-22-24(15)2/h3-4,7-8,11-12,16H,5-6,9-10H2,1-2H3,(H,20,25).
What are the key properties of 1-methyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]benzotriazole-5-carboxamide?
1-methyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]benzotriazole-5-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]benzotriazole-5-carboxamide is sourced from PubChem (CID 154736699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).