N-[5-(ethoxymethyl)-1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide

C24H26F3N3O3 — CID 134150559

IUPACN-[5-(ethoxymethyl)-1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
SMILESCCOCc1ccc2c(c1)nc(NC(=O)c1cccc(C(F)(F)F)c1)n2C1CCC(O)CC1
InChIInChI=1S/C24H26F3N3O3/c1-2-33-14-15-6-11-21-20(12-15)28-23(30(21)18-7-9-19(31)10-8-18)29-22(32)16-4-3-5-17(13-16)24(25,26)27/h3-6,11-13,18-19,31H,2,7-10,14H2,1H3,(H,28,29,32)
InChIKeyNDHWKINWBPLWGB-UHFFFAOYSA-N
MW461.48 g/mol
LogP5.32
Rot. Bonds6

About N-[5-(ethoxymethyl)-1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide

N-[5-(ethoxymethyl)-1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide (PubChem CID 134150559) has the molecular formula C24H26F3N3O3 and a molecular weight of 461.48 g/mol. Its IUPAC name is N-[5-(ethoxymethyl)-1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[5-(ethoxymethyl)-1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
PubChem CID134150559
Molecular FormulaC24H26F3N3O3
Molecular Weight461.48 g/mol
Exact Mass461.19
IUPAC NameN-[5-(ethoxymethyl)-1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
SMILESCCOCc1ccc2c(c1)nc(NC(=O)c1cccc(C(F)(F)F)c1)n2C1CCC(O)CC1
InChIInChI=1S/C24H26F3N3O3/c1-2-33-14-15-6-11-21-20(12-15)28-23(30(21)18-7-9-19(31)10-8-18)29-22(32)16-4-3-5-17(13-16)24(25,26)27/h3-6,11-13,18-19,31H,2,7-10,14H2,1H3,(H,28,29,32)
InChIKeyNDHWKINWBPLWGB-UHFFFAOYSA-N
XLogP5.32
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.48
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Brd4770
CID 72193870
2-(Benzoylamino)-1-(3-phenylpropyl)-1H-benzimidazole-5-carboxylic acid
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N-[6-(hydroxymethyl)-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
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CID 10142476
N-[5-(2,2-dimethylpropanoylamino)-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 10207985
2-[(4-Propan-2-Ylphenyl)amino]-1-[(1~{s},5~{s})-3,3,5-Trimethylcyclohexyl]benzimidazole-5-Carboxylic Acid
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N-[1-[4-(2-hydroxyethyl)phenyl]-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 21899142
N-[1-(4-hydroxycyclohexyl)-5-(hydroxymethyl)benzimidazol-2-yl]-3-nitrobenzamide
CID 70947961
1,1,2,2,4,4,5,5-Octafluoropentan-3-yl 1-ethyl-2-methylbenzimidazole-5-carboxylate
CID 2306849
N-[1-(4-hydroxycyclohexyl)-6-methylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide
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N-[1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 134143736
N-[1-(4-hydroxycyclohexyl)-5-methylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[5-(ethoxymethyl)-1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[5-(ethoxymethyl)-1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide (CID 134150559) is N-[5-(ethoxymethyl)-1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[5-(ethoxymethyl)-1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[5-(ethoxymethyl)-1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide is CCOCc1ccc2c(c1)nc(NC(=O)c1cccc(C(F)(F)F)c1)n2C1CCC(O)CC1.
What is the InChIKey of N-[5-(ethoxymethyl)-1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
The InChIKey is NDHWKINWBPLWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N3O3/c1-2-33-14-15-6-11-21-20(12-15)28-23(30(21)18-7-9-19(31)10-8-18)29-22(32)16-4-3-5-17(13-16)24(25,26)27/h3-6,11-13,18-19,31H,2,7-10,14H2,1H3,(H,28,29,32).
What are the key properties of N-[5-(ethoxymethyl)-1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
N-[5-(ethoxymethyl)-1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 461.48 g/mol, XLogP of 5.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(ethoxymethyl)-1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 134150559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).