N-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)-6-(hydroxymethyl)benzimidazol-1-yl]propanamide

C27H41N3O2 — CID 154623599

IUPACN-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)-6-(hydroxymethyl)benzimidazol-1-yl]propanamide
SMILESCCC1CCC(c2nc3ccc(CO)cc3n2CCC(=O)N(CC)C2CCCCC2)CC1
InChIInChI=1S/C27H41N3O2/c1-3-20-10-13-22(14-11-20)27-28-24-15-12-21(19-31)18-25(24)30(27)17-16-26(32)29(4-2)23-8-6-5-7-9-23/h12,15,18,20,22-23,31H,3-11,13-14,16-17,19H2,1-2H3
InChIKeyFJVKXQWKFRZCJM-UHFFFAOYSA-N
MW439.64 g/mol
LogP5.78
Rot. Bonds8

About N-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)-6-(hydroxymethyl)benzimidazol-1-yl]propanamide

N-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)-6-(hydroxymethyl)benzimidazol-1-yl]propanamide (PubChem CID 154623599) has the molecular formula C27H41N3O2 and a molecular weight of 439.64 g/mol. Its IUPAC name is N-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)-6-(hydroxymethyl)benzimidazol-1-yl]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)-6-(hydroxymethyl)benzimidazol-1-yl]propanamide
PubChem CID154623599
Molecular FormulaC27H41N3O2
Molecular Weight439.64 g/mol
Exact Mass439.32
IUPAC NameN-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)-6-(hydroxymethyl)benzimidazol-1-yl]propanamide
SMILESCCC1CCC(c2nc3ccc(CO)cc3n2CCC(=O)N(CC)C2CCCCC2)CC1
InChIInChI=1S/C27H41N3O2/c1-3-20-10-13-22(14-11-20)27-28-24-15-12-21(19-31)18-25(24)30(27)17-16-26(32)29(4-2)23-8-6-5-7-9-23/h12,15,18,20,22-23,31H,3-11,13-14,16-17,19H2,1-2H3
InChIKeyFJVKXQWKFRZCJM-UHFFFAOYSA-N
XLogP5.78
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.64
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)-6-(hydroxymethyl)benzimidazol-1-yl]propanamide?
The IUPAC name of N-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)-6-(hydroxymethyl)benzimidazol-1-yl]propanamide (CID 154623599) is N-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)-6-(hydroxymethyl)benzimidazol-1-yl]propanamide.
What is the SMILES notation for N-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)-6-(hydroxymethyl)benzimidazol-1-yl]propanamide?
The canonical SMILES for N-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)-6-(hydroxymethyl)benzimidazol-1-yl]propanamide is CCC1CCC(c2nc3ccc(CO)cc3n2CCC(=O)N(CC)C2CCCCC2)CC1.
What is the InChIKey of N-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)-6-(hydroxymethyl)benzimidazol-1-yl]propanamide?
The InChIKey is FJVKXQWKFRZCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H41N3O2/c1-3-20-10-13-22(14-11-20)27-28-24-15-12-21(19-31)18-25(24)30(27)17-16-26(32)29(4-2)23-8-6-5-7-9-23/h12,15,18,20,22-23,31H,3-11,13-14,16-17,19H2,1-2H3.
What are the key properties of N-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)-6-(hydroxymethyl)benzimidazol-1-yl]propanamide?
N-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)-6-(hydroxymethyl)benzimidazol-1-yl]propanamide has a molecular weight of 439.64 g/mol, XLogP of 5.78, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)-6-(hydroxymethyl)benzimidazol-1-yl]propanamide is sourced from PubChem (CID 154623599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).