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

C26H38FN3O — CID 129276837

IUPACN-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)-6-fluorobenzimidazol-1-yl]propanamide
SMILESCCC1CCC(c2nc3ccc(F)cc3n2CCC(=O)N(CC)C2CCCCC2)CC1
InChIInChI=1S/C26H38FN3O/c1-3-19-10-12-20(13-11-19)26-28-23-15-14-21(27)18-24(23)30(26)17-16-25(31)29(4-2)22-8-6-5-7-9-22/h14-15,18-20,22H,3-13,16-17H2,1-2H3
InChIKeyGEVQPZKYGUEJBE-UHFFFAOYSA-N
MW427.61 g/mol
LogP6.43
Rot. Bonds7

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

N-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)-6-fluorobenzimidazol-1-yl]propanamide (PubChem CID 129276837) 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)-6-fluorobenzimidazol-1-yl]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)-6-fluorobenzimidazol-1-yl]propanamide
PubChem CID129276837
Molecular FormulaC26H38FN3O
Molecular Weight427.61 g/mol
Exact Mass427.30
IUPAC NameN-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)-6-fluorobenzimidazol-1-yl]propanamide
SMILESCCC1CCC(c2nc3ccc(F)cc3n2CCC(=O)N(CC)C2CCCCC2)CC1
InChIInChI=1S/C26H38FN3O/c1-3-19-10-12-20(13-11-19)26-28-23-15-14-21(27)18-24(23)30(26)17-16-25(31)29(4-2)22-8-6-5-7-9-22/h14-15,18-20,22H,3-13,16-17H2,1-2H3
InChIKeyGEVQPZKYGUEJBE-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)-6-fluorobenzimidazol-1-yl]propanamide?
The IUPAC name of N-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)-6-fluorobenzimidazol-1-yl]propanamide (CID 129276837) is N-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)-6-fluorobenzimidazol-1-yl]propanamide.
What is the SMILES notation for N-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)-6-fluorobenzimidazol-1-yl]propanamide?
The canonical SMILES for N-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)-6-fluorobenzimidazol-1-yl]propanamide is CCC1CCC(c2nc3ccc(F)cc3n2CCC(=O)N(CC)C2CCCCC2)CC1.
What is the InChIKey of N-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)-6-fluorobenzimidazol-1-yl]propanamide?
The InChIKey is GEVQPZKYGUEJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38FN3O/c1-3-19-10-12-20(13-11-19)26-28-23-15-14-21(27)18-24(23)30(26)17-16-25(31)29(4-2)22-8-6-5-7-9-22/h14-15,18-20,22H,3-13,16-17H2,1-2H3.
What are the key properties of N-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)-6-fluorobenzimidazol-1-yl]propanamide?
N-cyclohexyl-N-ethyl-3-[2-(4-ethylcyclohexyl)-6-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)-6-fluorobenzimidazol-1-yl]propanamide is sourced from PubChem (CID 129276837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).