2-[4-[2-[[4-(5-cyclohexyl-2-pyridinyl)phenyl]methyl]-4-(2,4-dichlorophenyl)imidazol-1-yl]anilino]acetamide

C35H33Cl2N5O — CID 143521270

IUPAC2-[4-[2-[[4-(5-cyclohexyl-2-pyridinyl)phenyl]methyl]-4-(2,4-dichlorophenyl)imidazol-1-yl]anilino]acetamide
SMILESNC(=O)CNc1ccc(-n2cc(-c3ccc(Cl)cc3Cl)nc2Cc2ccc(-c3ccc(C4CCCCC4)cn3)cc2)cc1
InChIInChI=1S/C35H33Cl2N5O/c36-27-11-16-30(31(37)19-27)33-22-42(29-14-12-28(13-15-29)39-21-34(38)43)35(41-33)18-23-6-8-25(9-7-23)32-17-10-26(20-40-32)24-4-2-1-3-5-24/h6-17,19-20,22,24,39H,1-5,18,21H2,(H2,38,43)
InChIKeyJDIUYIDXOUIXCB-UHFFFAOYSA-N
MW610.59 g/mol
LogP8.44
Rot. Bonds9

About 2-[4-[2-[[4-(5-cyclohexyl-2-pyridinyl)phenyl]methyl]-4-(2,4-dichlorophenyl)imidazol-1-yl]anilino]acetamide

2-[4-[2-[[4-(5-cyclohexyl-2-pyridinyl)phenyl]methyl]-4-(2,4-dichlorophenyl)imidazol-1-yl]anilino]acetamide (PubChem CID 143521270) has the molecular formula C35H33Cl2N5O and a molecular weight of 610.59 g/mol. Its IUPAC name is 2-[4-[2-[[4-(5-cyclohexyl-2-pyridinyl)phenyl]methyl]-4-(2,4-dichlorophenyl)imidazol-1-yl]anilino]acetamide.

Molecular Properties

Compound Name2-[4-[2-[[4-(5-cyclohexyl-2-pyridinyl)phenyl]methyl]-4-(2,4-dichlorophenyl)imidazol-1-yl]anilino]acetamide
PubChem CID143521270
Molecular FormulaC35H33Cl2N5O
Molecular Weight610.59 g/mol
Exact Mass609.21
IUPAC Name2-[4-[2-[[4-(5-cyclohexyl-2-pyridinyl)phenyl]methyl]-4-(2,4-dichlorophenyl)imidazol-1-yl]anilino]acetamide
SMILESNC(=O)CNc1ccc(-n2cc(-c3ccc(Cl)cc3Cl)nc2Cc2ccc(-c3ccc(C4CCCCC4)cn3)cc2)cc1
InChIInChI=1S/C35H33Cl2N5O/c36-27-11-16-30(31(37)19-27)33-22-42(29-14-12-28(13-15-29)39-21-34(38)43)35(41-33)18-23-6-8-25(9-7-23)32-17-10-26(20-40-32)24-4-2-1-3-5-24/h6-17,19-20,22,24,39H,1-5,18,21H2,(H2,38,43)
InChIKeyJDIUYIDXOUIXCB-UHFFFAOYSA-N
XLogP8.44
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.59
LogP ≤ 58.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[[4-(5-cyclohexyl-2-pyridinyl)phenyl]methyl]-4-(2,4-dichlorophenyl)imidazol-1-yl]anilino]acetamide?
The IUPAC name of 2-[4-[2-[[4-(5-cyclohexyl-2-pyridinyl)phenyl]methyl]-4-(2,4-dichlorophenyl)imidazol-1-yl]anilino]acetamide (CID 143521270) is 2-[4-[2-[[4-(5-cyclohexyl-2-pyridinyl)phenyl]methyl]-4-(2,4-dichlorophenyl)imidazol-1-yl]anilino]acetamide.
What is the SMILES notation for 2-[4-[2-[[4-(5-cyclohexyl-2-pyridinyl)phenyl]methyl]-4-(2,4-dichlorophenyl)imidazol-1-yl]anilino]acetamide?
The canonical SMILES for 2-[4-[2-[[4-(5-cyclohexyl-2-pyridinyl)phenyl]methyl]-4-(2,4-dichlorophenyl)imidazol-1-yl]anilino]acetamide is NC(=O)CNc1ccc(-n2cc(-c3ccc(Cl)cc3Cl)nc2Cc2ccc(-c3ccc(C4CCCCC4)cn3)cc2)cc1.
What is the InChIKey of 2-[4-[2-[[4-(5-cyclohexyl-2-pyridinyl)phenyl]methyl]-4-(2,4-dichlorophenyl)imidazol-1-yl]anilino]acetamide?
The InChIKey is JDIUYIDXOUIXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H33Cl2N5O/c36-27-11-16-30(31(37)19-27)33-22-42(29-14-12-28(13-15-29)39-21-34(38)43)35(41-33)18-23-6-8-25(9-7-23)32-17-10-26(20-40-32)24-4-2-1-3-5-24/h6-17,19-20,22,24,39H,1-5,18,21H2,(H2,38,43).
What are the key properties of 2-[4-[2-[[4-(5-cyclohexyl-2-pyridinyl)phenyl]methyl]-4-(2,4-dichlorophenyl)imidazol-1-yl]anilino]acetamide?
2-[4-[2-[[4-(5-cyclohexyl-2-pyridinyl)phenyl]methyl]-4-(2,4-dichlorophenyl)imidazol-1-yl]anilino]acetamide has a molecular weight of 610.59 g/mol, XLogP of 8.44, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[[4-(5-cyclohexyl-2-pyridinyl)phenyl]methyl]-4-(2,4-dichlorophenyl)imidazol-1-yl]anilino]acetamide is sourced from PubChem (CID 143521270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).