N-cyclohexyl-2-[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]-N-phenylacetamide

C27H30N6O2 — CID 59472507

IUPACN-cyclohexyl-2-[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]-N-phenylacetamide
SMILESCOc1cc(-c2cn(CC(=O)N(c3ccccc3)C3CCCCC3)nn2)ccc1-n1cnc(C)c1
InChIInChI=1S/C27H30N6O2/c1-20-16-31(19-28-20)25-14-13-21(15-26(25)35-2)24-17-32(30-29-24)18-27(34)33(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3,5-6,9-10,13-17,19,23H,4,7-8,11-12,18H2,1-2H3
InChIKeyOSWRMNQCTUFSFD-UHFFFAOYSA-N
MW470.58 g/mol
LogP4.81
Rot. Bonds7

About N-cyclohexyl-2-[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]-N-phenylacetamide

N-cyclohexyl-2-[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]-N-phenylacetamide (PubChem CID 59472507) has the molecular formula C27H30N6O2 and a molecular weight of 470.58 g/mol. Its IUPAC name is N-cyclohexyl-2-[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]-N-phenylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]-N-phenylacetamide
PubChem CID59472507
Molecular FormulaC27H30N6O2
Molecular Weight470.58 g/mol
Exact Mass470.24
IUPAC NameN-cyclohexyl-2-[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]-N-phenylacetamide
SMILESCOc1cc(-c2cn(CC(=O)N(c3ccccc3)C3CCCCC3)nn2)ccc1-n1cnc(C)c1
InChIInChI=1S/C27H30N6O2/c1-20-16-31(19-28-20)25-14-13-21(15-26(25)35-2)24-17-32(30-29-24)18-27(34)33(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3,5-6,9-10,13-17,19,23H,4,7-8,11-12,18H2,1-2H3
InChIKeyOSWRMNQCTUFSFD-UHFFFAOYSA-N
XLogP4.81
TPSA78.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.58
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]-N-phenylacetamide?
The IUPAC name of N-cyclohexyl-2-[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]-N-phenylacetamide (CID 59472507) is N-cyclohexyl-2-[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]-N-phenylacetamide.
What is the SMILES notation for N-cyclohexyl-2-[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]-N-phenylacetamide?
The canonical SMILES for N-cyclohexyl-2-[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]-N-phenylacetamide is COc1cc(-c2cn(CC(=O)N(c3ccccc3)C3CCCCC3)nn2)ccc1-n1cnc(C)c1.
What is the InChIKey of N-cyclohexyl-2-[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]-N-phenylacetamide?
The InChIKey is OSWRMNQCTUFSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O2/c1-20-16-31(19-28-20)25-14-13-21(15-26(25)35-2)24-17-32(30-29-24)18-27(34)33(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3,5-6,9-10,13-17,19,23H,4,7-8,11-12,18H2,1-2H3.
What are the key properties of N-cyclohexyl-2-[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]-N-phenylacetamide?
N-cyclohexyl-2-[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]-N-phenylacetamide has a molecular weight of 470.58 g/mol, XLogP of 4.81, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]-N-phenylacetamide is sourced from PubChem (CID 59472507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).