N-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)-4-fluorobenzimidazol-1-yl]propanamide

C26H38FN3O — CID 129276834

IUPACN-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)-4-fluorobenzimidazol-1-yl]propanamide
SMILESCCC1CCC(c2nc3c(F)cccc3n2CCC(=O)N(CC)C2CCCCC2)CC1
InChIInChI=1S/C26H38FN3O/c1-3-19-13-15-20(16-14-19)26-28-25-22(27)11-8-12-23(25)30(26)18-17-24(31)29(4-2)21-9-6-5-7-10-21/h8,11-12,19-21H,3-7,9-10,13-18H2,1-2H3
InChIKeyQDPFNHIBGQYJGK-UHFFFAOYSA-N
MW427.61 g/mol
LogP6.43
Rot. Bonds7

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

N-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)-4-fluorobenzimidazol-1-yl]propanamide (PubChem CID 129276834) has the molecular formula C26H38FN3O and a molecular weight of 427.61 g/mol. Its IUPAC name is N-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)-4-fluorobenzimidazol-1-yl]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)-4-fluorobenzimidazol-1-yl]propanamide
PubChem CID129276834
Molecular FormulaC26H38FN3O
Molecular Weight427.61 g/mol
Exact Mass427.30
IUPAC NameN-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)-4-fluorobenzimidazol-1-yl]propanamide
SMILESCCC1CCC(c2nc3c(F)cccc3n2CCC(=O)N(CC)C2CCCCC2)CC1
InChIInChI=1S/C26H38FN3O/c1-3-19-13-15-20(16-14-19)26-28-25-22(27)11-8-12-23(25)30(26)18-17-24(31)29(4-2)21-9-6-5-7-10-21/h8,11-12,19-21H,3-7,9-10,13-18H2,1-2H3
InChIKeyQDPFNHIBGQYJGK-UHFFFAOYSA-N
XLogP6.43
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.61
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)-4-fluorobenzimidazol-1-yl]propanamide?
The IUPAC name of N-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)-4-fluorobenzimidazol-1-yl]propanamide (CID 129276834) is N-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)-4-fluorobenzimidazol-1-yl]propanamide.
What is the SMILES notation for N-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)-4-fluorobenzimidazol-1-yl]propanamide?
The canonical SMILES for N-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)-4-fluorobenzimidazol-1-yl]propanamide is CCC1CCC(c2nc3c(F)cccc3n2CCC(=O)N(CC)C2CCCCC2)CC1.
What is the InChIKey of N-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)-4-fluorobenzimidazol-1-yl]propanamide?
The InChIKey is QDPFNHIBGQYJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38FN3O/c1-3-19-13-15-20(16-14-19)26-28-25-22(27)11-8-12-23(25)30(26)18-17-24(31)29(4-2)21-9-6-5-7-10-21/h8,11-12,19-21H,3-7,9-10,13-18H2,1-2H3.
What are the key properties of N-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)-4-fluorobenzimidazol-1-yl]propanamide?
N-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)-4-fluorobenzimidazol-1-yl]propanamide has a molecular weight of 427.61 g/mol, XLogP of 6.43, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)-4-fluorobenzimidazol-1-yl]propanamide is sourced from PubChem (CID 129276834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).