2-[[3-[[7-methoxy-1-(2-methoxyethyl)-2-(4-propan-2-ylphenyl)-4-(trifluoromethyl)benzimidazol-5-yl]methyl]-2-pyridinyl]oxy]-N,N-dimethylethanamine

C31H37F3N4O3 — CID 24753798

IUPAC2-[[3-[[7-methoxy-1-(2-methoxyethyl)-2-(4-propan-2-ylphenyl)-4-(trifluoromethyl)benzimidazol-5-yl]methyl]-2-pyridinyl]oxy]-N,N-dimethylethanamine
SMILESCOCCn1c(-c2ccc(C(C)C)cc2)nc2c(C(F)(F)F)c(Cc3cccnc3OCCN(C)C)cc(OC)c21
InChIInChI=1S/C31H37F3N4O3/c1-20(2)21-9-11-22(12-10-21)29-36-27-26(31(32,33)34)24(19-25(40-6)28(27)38(29)15-16-39-5)18-23-8-7-13-35-30(23)41-17-14-37(3)4/h7-13,19-20H,14-18H2,1-6H3
InChIKeyYZRCEDKJCYMCGB-UHFFFAOYSA-N
MW570.66 g/mol
LogP6.43
Rot. Bonds12

About 2-[[3-[[7-methoxy-1-(2-methoxyethyl)-2-(4-propan-2-ylphenyl)-4-(trifluoromethyl)benzimidazol-5-yl]methyl]-2-pyridinyl]oxy]-N,N-dimethylethanamine

2-[[3-[[7-methoxy-1-(2-methoxyethyl)-2-(4-propan-2-ylphenyl)-4-(trifluoromethyl)benzimidazol-5-yl]methyl]-2-pyridinyl]oxy]-N,N-dimethylethanamine (PubChem CID 24753798) has the molecular formula C31H37F3N4O3 and a molecular weight of 570.66 g/mol. Its IUPAC name is 2-[[3-[[7-methoxy-1-(2-methoxyethyl)-2-(4-propan-2-ylphenyl)-4-(trifluoromethyl)benzimidazol-5-yl]methyl]-2-pyridinyl]oxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[[3-[[7-methoxy-1-(2-methoxyethyl)-2-(4-propan-2-ylphenyl)-4-(trifluoromethyl)benzimidazol-5-yl]methyl]-2-pyridinyl]oxy]-N,N-dimethylethanamine
PubChem CID24753798
Molecular FormulaC31H37F3N4O3
Molecular Weight570.66 g/mol
Exact Mass570.28
IUPAC Name2-[[3-[[7-methoxy-1-(2-methoxyethyl)-2-(4-propan-2-ylphenyl)-4-(trifluoromethyl)benzimidazol-5-yl]methyl]-2-pyridinyl]oxy]-N,N-dimethylethanamine
SMILESCOCCn1c(-c2ccc(C(C)C)cc2)nc2c(C(F)(F)F)c(Cc3cccnc3OCCN(C)C)cc(OC)c21
InChIInChI=1S/C31H37F3N4O3/c1-20(2)21-9-11-22(12-10-21)29-36-27-26(31(32,33)34)24(19-25(40-6)28(27)38(29)15-16-39-5)18-23-8-7-13-35-30(23)41-17-14-37(3)4/h7-13,19-20H,14-18H2,1-6H3
InChIKeyYZRCEDKJCYMCGB-UHFFFAOYSA-N
XLogP6.43
TPSA61.64 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.66
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[[3-[[7-methoxy-1-(2-methoxyethyl)-2-(4-propan-2-ylphenyl)-4-(trifluoromethyl)benzimidazol-5-yl]methyl]-2-pyridinyl]oxy]-N,N-dimethylethanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-[[7-methoxy-1-(2-methoxyethyl)-2-(4-propan-2-ylphenyl)-4-(trifluoromethyl)benzimidazol-5-yl]methyl]-2-pyridinyl]oxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[[3-[[7-methoxy-1-(2-methoxyethyl)-2-(4-propan-2-ylphenyl)-4-(trifluoromethyl)benzimidazol-5-yl]methyl]-2-pyridinyl]oxy]-N,N-dimethylethanamine (CID 24753798) is 2-[[3-[[7-methoxy-1-(2-methoxyethyl)-2-(4-propan-2-ylphenyl)-4-(trifluoromethyl)benzimidazol-5-yl]methyl]-2-pyridinyl]oxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[[3-[[7-methoxy-1-(2-methoxyethyl)-2-(4-propan-2-ylphenyl)-4-(trifluoromethyl)benzimidazol-5-yl]methyl]-2-pyridinyl]oxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[[3-[[7-methoxy-1-(2-methoxyethyl)-2-(4-propan-2-ylphenyl)-4-(trifluoromethyl)benzimidazol-5-yl]methyl]-2-pyridinyl]oxy]-N,N-dimethylethanamine is COCCn1c(-c2ccc(C(C)C)cc2)nc2c(C(F)(F)F)c(Cc3cccnc3OCCN(C)C)cc(OC)c21.
What is the InChIKey of 2-[[3-[[7-methoxy-1-(2-methoxyethyl)-2-(4-propan-2-ylphenyl)-4-(trifluoromethyl)benzimidazol-5-yl]methyl]-2-pyridinyl]oxy]-N,N-dimethylethanamine?
The InChIKey is YZRCEDKJCYMCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37F3N4O3/c1-20(2)21-9-11-22(12-10-21)29-36-27-26(31(32,33)34)24(19-25(40-6)28(27)38(29)15-16-39-5)18-23-8-7-13-35-30(23)41-17-14-37(3)4/h7-13,19-20H,14-18H2,1-6H3.
What are the key properties of 2-[[3-[[7-methoxy-1-(2-methoxyethyl)-2-(4-propan-2-ylphenyl)-4-(trifluoromethyl)benzimidazol-5-yl]methyl]-2-pyridinyl]oxy]-N,N-dimethylethanamine?
2-[[3-[[7-methoxy-1-(2-methoxyethyl)-2-(4-propan-2-ylphenyl)-4-(trifluoromethyl)benzimidazol-5-yl]methyl]-2-pyridinyl]oxy]-N,N-dimethylethanamine has a molecular weight of 570.66 g/mol, XLogP of 6.43, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[[7-methoxy-1-(2-methoxyethyl)-2-(4-propan-2-ylphenyl)-4-(trifluoromethyl)benzimidazol-5-yl]methyl]-2-pyridinyl]oxy]-N,N-dimethylethanamine is sourced from PubChem (CID 24753798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).