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

C28H33F3N4O3 — CID 10302016

IUPACN-[1-(4-hydroxycyclohexyl)-5-(2-piperidin-1-ylethoxy)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1nc2cc(OCCN3CCCCC3)ccc2n1C1CCC(O)CC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C28H33F3N4O3/c29-28(30,31)20-6-4-5-19(17-20)26(37)33-27-32-24-18-23(38-16-15-34-13-2-1-3-14-34)11-12-25(24)35(27)21-7-9-22(36)10-8-21/h4-6,11-12,17-18,21-22,36H,1-3,7-10,13-16H2,(H,32,33,37)
InChIKeyABDIZALICZPHMV-UHFFFAOYSA-N
MW530.59 g/mol
LogP5.65
Rot. Bonds7

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

N-[1-(4-hydroxycyclohexyl)-5-(2-piperidin-1-ylethoxy)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide (PubChem CID 10302016) has the molecular formula C28H33F3N4O3 and a molecular weight of 530.59 g/mol. Its IUPAC name is N-[1-(4-hydroxycyclohexyl)-5-(2-piperidin-1-ylethoxy)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[1-(4-hydroxycyclohexyl)-5-(2-piperidin-1-ylethoxy)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
PubChem CID10302016
Molecular FormulaC28H33F3N4O3
Molecular Weight530.59 g/mol
Exact Mass530.25
IUPAC NameN-[1-(4-hydroxycyclohexyl)-5-(2-piperidin-1-ylethoxy)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1nc2cc(OCCN3CCCCC3)ccc2n1C1CCC(O)CC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C28H33F3N4O3/c29-28(30,31)20-6-4-5-19(17-20)26(37)33-27-32-24-18-23(38-16-15-34-13-2-1-3-14-34)11-12-25(24)35(27)21-7-9-22(36)10-8-21/h4-6,11-12,17-18,21-22,36H,1-3,7-10,13-16H2,(H,32,33,37)
InChIKeyABDIZALICZPHMV-UHFFFAOYSA-N
XLogP5.65
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.59
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-hydroxycyclohexyl)-5-(2-piperidin-1-ylethoxy)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[1-(4-hydroxycyclohexyl)-5-(2-piperidin-1-ylethoxy)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide (CID 10302016) is N-[1-(4-hydroxycyclohexyl)-5-(2-piperidin-1-ylethoxy)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[1-(4-hydroxycyclohexyl)-5-(2-piperidin-1-ylethoxy)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[1-(4-hydroxycyclohexyl)-5-(2-piperidin-1-ylethoxy)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide is O=C(Nc1nc2cc(OCCN3CCCCC3)ccc2n1C1CCC(O)CC1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[1-(4-hydroxycyclohexyl)-5-(2-piperidin-1-ylethoxy)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
The InChIKey is ABDIZALICZPHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33F3N4O3/c29-28(30,31)20-6-4-5-19(17-20)26(37)33-27-32-24-18-23(38-16-15-34-13-2-1-3-14-34)11-12-25(24)35(27)21-7-9-22(36)10-8-21/h4-6,11-12,17-18,21-22,36H,1-3,7-10,13-16H2,(H,32,33,37).
What are the key properties of N-[1-(4-hydroxycyclohexyl)-5-(2-piperidin-1-ylethoxy)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
N-[1-(4-hydroxycyclohexyl)-5-(2-piperidin-1-ylethoxy)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 530.59 g/mol, XLogP of 5.65, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-hydroxycyclohexyl)-5-(2-piperidin-1-ylethoxy)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 10302016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).