1-[2-[[4-[6-[(2-fluoro-4-methylphenyl)methoxy]-2-pyridinyl]cyclohexyl]methyl]-3-(2-methoxyethyl)-7-(1-methylpyrazol-3-yl)benzimidazol-5-yl]ethanone

C36H40FN5O3 — CID 163370777

IUPAC1-[2-[[4-[6-[(2-fluoro-4-methylphenyl)methoxy]-2-pyridinyl]cyclohexyl]methyl]-3-(2-methoxyethyl)-7-(1-methylpyrazol-3-yl)benzimidazol-5-yl]ethanone
SMILESCOCCn1c(CC2CCC(c3cccc(OCc4ccc(C)cc4F)n3)CC2)nc2c(-c3ccn(C)n3)cc(C(C)=O)cc21
InChIInChI=1S/C36H40FN5O3/c1-23-8-11-27(30(37)18-23)22-45-35-7-5-6-31(38-35)26-12-9-25(10-13-26)19-34-39-36-29(32-14-15-41(3)40-32)20-28(24(2)43)21-33(36)42(34)16-17-44-4/h5-8,11,14-15,18,20-21,25-26H,9-10,12-13,16-17,19,22H2,1-4H3
InChIKeyRDODFHMGCLUFHT-UHFFFAOYSA-N
MW609.75 g/mol
LogP7.22
Rot. Bonds11

About 1-[2-[[4-[6-[(2-fluoro-4-methylphenyl)methoxy]-2-pyridinyl]cyclohexyl]methyl]-3-(2-methoxyethyl)-7-(1-methylpyrazol-3-yl)benzimidazol-5-yl]ethanone

1-[2-[[4-[6-[(2-fluoro-4-methylphenyl)methoxy]-2-pyridinyl]cyclohexyl]methyl]-3-(2-methoxyethyl)-7-(1-methylpyrazol-3-yl)benzimidazol-5-yl]ethanone (PubChem CID 163370777) has the molecular formula C36H40FN5O3 and a molecular weight of 609.75 g/mol. Its IUPAC name is 1-[2-[[4-[6-[(2-fluoro-4-methylphenyl)methoxy]-2-pyridinyl]cyclohexyl]methyl]-3-(2-methoxyethyl)-7-(1-methylpyrazol-3-yl)benzimidazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-[[4-[6-[(2-fluoro-4-methylphenyl)methoxy]-2-pyridinyl]cyclohexyl]methyl]-3-(2-methoxyethyl)-7-(1-methylpyrazol-3-yl)benzimidazol-5-yl]ethanone
PubChem CID163370777
Molecular FormulaC36H40FN5O3
Molecular Weight609.75 g/mol
Exact Mass609.31
IUPAC Name1-[2-[[4-[6-[(2-fluoro-4-methylphenyl)methoxy]-2-pyridinyl]cyclohexyl]methyl]-3-(2-methoxyethyl)-7-(1-methylpyrazol-3-yl)benzimidazol-5-yl]ethanone
SMILESCOCCn1c(CC2CCC(c3cccc(OCc4ccc(C)cc4F)n3)CC2)nc2c(-c3ccn(C)n3)cc(C(C)=O)cc21
InChIInChI=1S/C36H40FN5O3/c1-23-8-11-27(30(37)18-23)22-45-35-7-5-6-31(38-35)26-12-9-25(10-13-26)19-34-39-36-29(32-14-15-41(3)40-32)20-28(24(2)43)21-33(36)42(34)16-17-44-4/h5-8,11,14-15,18,20-21,25-26H,9-10,12-13,16-17,19,22H2,1-4H3
InChIKeyRDODFHMGCLUFHT-UHFFFAOYSA-N
XLogP7.22
TPSA84.06 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.75
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-[2-[[4-[6-[(2-fluoro-4-methylphenyl)methoxy]-2-pyridinyl]cyclohexyl]methyl]-3-(2-methoxyethyl)-7-(1-methylpyrazol-3-yl)benzimidazol-5-yl]ethanone with MolForge

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Related Compounds

2-[(4-{6-[(2,4-difluorophenyl)methoxy]pyridin-2-yl}piperidin-1-yl)methyl]-1-[(1-ethyl-1H-imidazol-5-yl)methyl]-1H-benzimidazole-6-carboxylic acid
CID 134611223
US10208019, Example 10A-66
CID 134611055
US10889571, Example 175
CID 146507834
US10889571, Example 164
CID 146507851
US20230271949, Example 126
CID 168678479
US20230271949, Example 127
CID 168678480
US20230271949, Example 132
CID 168678485
US20230271949, Example 133
CID 168678486
US20230271949, Example 134
CID 168678487
US20230271949, Example 152
CID 168678505
US20230271949, Example 177
CID 168678530
US20230271949, Example 181
CID 168678534

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[4-[6-[(2-fluoro-4-methylphenyl)methoxy]-2-pyridinyl]cyclohexyl]methyl]-3-(2-methoxyethyl)-7-(1-methylpyrazol-3-yl)benzimidazol-5-yl]ethanone?
The IUPAC name of 1-[2-[[4-[6-[(2-fluoro-4-methylphenyl)methoxy]-2-pyridinyl]cyclohexyl]methyl]-3-(2-methoxyethyl)-7-(1-methylpyrazol-3-yl)benzimidazol-5-yl]ethanone (CID 163370777) is 1-[2-[[4-[6-[(2-fluoro-4-methylphenyl)methoxy]-2-pyridinyl]cyclohexyl]methyl]-3-(2-methoxyethyl)-7-(1-methylpyrazol-3-yl)benzimidazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-[[4-[6-[(2-fluoro-4-methylphenyl)methoxy]-2-pyridinyl]cyclohexyl]methyl]-3-(2-methoxyethyl)-7-(1-methylpyrazol-3-yl)benzimidazol-5-yl]ethanone?
The canonical SMILES for 1-[2-[[4-[6-[(2-fluoro-4-methylphenyl)methoxy]-2-pyridinyl]cyclohexyl]methyl]-3-(2-methoxyethyl)-7-(1-methylpyrazol-3-yl)benzimidazol-5-yl]ethanone is COCCn1c(CC2CCC(c3cccc(OCc4ccc(C)cc4F)n3)CC2)nc2c(-c3ccn(C)n3)cc(C(C)=O)cc21.
What is the InChIKey of 1-[2-[[4-[6-[(2-fluoro-4-methylphenyl)methoxy]-2-pyridinyl]cyclohexyl]methyl]-3-(2-methoxyethyl)-7-(1-methylpyrazol-3-yl)benzimidazol-5-yl]ethanone?
The InChIKey is RDODFHMGCLUFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H40FN5O3/c1-23-8-11-27(30(37)18-23)22-45-35-7-5-6-31(38-35)26-12-9-25(10-13-26)19-34-39-36-29(32-14-15-41(3)40-32)20-28(24(2)43)21-33(36)42(34)16-17-44-4/h5-8,11,14-15,18,20-21,25-26H,9-10,12-13,16-17,19,22H2,1-4H3.
What are the key properties of 1-[2-[[4-[6-[(2-fluoro-4-methylphenyl)methoxy]-2-pyridinyl]cyclohexyl]methyl]-3-(2-methoxyethyl)-7-(1-methylpyrazol-3-yl)benzimidazol-5-yl]ethanone?
1-[2-[[4-[6-[(2-fluoro-4-methylphenyl)methoxy]-2-pyridinyl]cyclohexyl]methyl]-3-(2-methoxyethyl)-7-(1-methylpyrazol-3-yl)benzimidazol-5-yl]ethanone has a molecular weight of 609.75 g/mol, XLogP of 7.22, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[4-[6-[(2-fluoro-4-methylphenyl)methoxy]-2-pyridinyl]cyclohexyl]methyl]-3-(2-methoxyethyl)-7-(1-methylpyrazol-3-yl)benzimidazol-5-yl]ethanone is sourced from PubChem (CID 163370777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).