N-[4-[[3-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]pyrimidin-2-yl]cyclopropanecarboxamide

C32H37N5O4Si — CID 162712860

IUPACN-[4-[[3-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]pyrimidin-2-yl]cyclopropanecarboxamide
SMILESC[Si](C)(C)CCOCn1cc(-c2ccccc2)nc1C1COc2ccc(Oc3ccnc(NC(=O)C4CC4)n3)cc2C1
InChIInChI=1S/C32H37N5O4Si/c1-42(2,3)16-15-39-21-37-19-27(22-7-5-4-6-8-22)34-30(37)25-17-24-18-26(11-12-28(24)40-20-25)41-29-13-14-33-32(35-29)36-31(38)23-9-10-23/h4-8,11-14,18-19,23,25H,9-10,15-17,20-21H2,1-3H3,(H,33,35,36,38)
InChIKeyOSHVQQXVHVSYED-UHFFFAOYSA-N
MW583.77 g/mol
LogP6.51
Rot. Bonds11

About N-[4-[[3-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]pyrimidin-2-yl]cyclopropanecarboxamide

N-[4-[[3-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]pyrimidin-2-yl]cyclopropanecarboxamide (PubChem CID 162712860) has the molecular formula C32H37N5O4Si and a molecular weight of 583.77 g/mol. Its IUPAC name is N-[4-[[3-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]pyrimidin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[[3-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]pyrimidin-2-yl]cyclopropanecarboxamide
PubChem CID162712860
Molecular FormulaC32H37N5O4Si
Molecular Weight583.77 g/mol
Exact Mass583.26
IUPAC NameN-[4-[[3-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]pyrimidin-2-yl]cyclopropanecarboxamide
SMILESC[Si](C)(C)CCOCn1cc(-c2ccccc2)nc1C1COc2ccc(Oc3ccnc(NC(=O)C4CC4)n3)cc2C1
InChIInChI=1S/C32H37N5O4Si/c1-42(2,3)16-15-39-21-37-19-27(22-7-5-4-6-8-22)34-30(37)25-17-24-18-26(11-12-28(24)40-20-25)41-29-13-14-33-32(35-29)36-31(38)23-9-10-23/h4-8,11-14,18-19,23,25H,9-10,15-17,20-21H2,1-3H3,(H,33,35,36,38)
InChIKeyOSHVQQXVHVSYED-UHFFFAOYSA-N
XLogP6.51
TPSA100.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.77
LogP ≤ 56.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]pyrimidin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[[3-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]pyrimidin-2-yl]cyclopropanecarboxamide (CID 162712860) is N-[4-[[3-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]pyrimidin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[[3-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]pyrimidin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[[3-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]pyrimidin-2-yl]cyclopropanecarboxamide is C[Si](C)(C)CCOCn1cc(-c2ccccc2)nc1C1COc2ccc(Oc3ccnc(NC(=O)C4CC4)n3)cc2C1.
What is the InChIKey of N-[4-[[3-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]pyrimidin-2-yl]cyclopropanecarboxamide?
The InChIKey is OSHVQQXVHVSYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N5O4Si/c1-42(2,3)16-15-39-21-37-19-27(22-7-5-4-6-8-22)34-30(37)25-17-24-18-26(11-12-28(24)40-20-25)41-29-13-14-33-32(35-29)36-31(38)23-9-10-23/h4-8,11-14,18-19,23,25H,9-10,15-17,20-21H2,1-3H3,(H,33,35,36,38).
What are the key properties of N-[4-[[3-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]pyrimidin-2-yl]cyclopropanecarboxamide?
N-[4-[[3-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]pyrimidin-2-yl]cyclopropanecarboxamide has a molecular weight of 583.77 g/mol, XLogP of 6.51, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-[4-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]pyrimidin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 162712860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).