N-cyclohexyl-3-(2-cyclohexyl-4-fluorobenzimidazol-1-yl)-N-ethylpropanamide

C24H34FN3O — CID 170097361

IUPACN-cyclohexyl-3-(2-cyclohexyl-4-fluorobenzimidazol-1-yl)-N-ethylpropanamide
SMILESCCN(C(=O)CCn1c(C2CCCCC2)nc2c(F)cccc21)C1CCCCC1
InChIInChI=1S/C24H34FN3O/c1-2-27(19-12-7-4-8-13-19)22(29)16-17-28-21-15-9-14-20(25)23(21)26-24(28)18-10-5-3-6-11-18/h9,14-15,18-19H,2-8,10-13,16-17H2,1H3
InChIKeyYLDANOFUVQQFPA-UHFFFAOYSA-N
MW399.55 g/mol
LogP5.79
Rot. Bonds6

About N-cyclohexyl-3-(2-cyclohexyl-4-fluorobenzimidazol-1-yl)-N-ethylpropanamide

N-cyclohexyl-3-(2-cyclohexyl-4-fluorobenzimidazol-1-yl)-N-ethylpropanamide (PubChem CID 170097361) has the molecular formula C24H34FN3O and a molecular weight of 399.55 g/mol. Its IUPAC name is N-cyclohexyl-3-(2-cyclohexyl-4-fluorobenzimidazol-1-yl)-N-ethylpropanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-(2-cyclohexyl-4-fluorobenzimidazol-1-yl)-N-ethylpropanamide
PubChem CID170097361
Molecular FormulaC24H34FN3O
Molecular Weight399.55 g/mol
Exact Mass399.27
IUPAC NameN-cyclohexyl-3-(2-cyclohexyl-4-fluorobenzimidazol-1-yl)-N-ethylpropanamide
SMILESCCN(C(=O)CCn1c(C2CCCCC2)nc2c(F)cccc21)C1CCCCC1
InChIInChI=1S/C24H34FN3O/c1-2-27(19-12-7-4-8-13-19)22(29)16-17-28-21-15-9-14-20(25)23(21)26-24(28)18-10-5-3-6-11-18/h9,14-15,18-19H,2-8,10-13,16-17H2,1H3
InChIKeyYLDANOFUVQQFPA-UHFFFAOYSA-N
XLogP5.79
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.55
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-(2-cyclohexyl-4-fluorobenzimidazol-1-yl)-N-ethylpropanamide?
The IUPAC name of N-cyclohexyl-3-(2-cyclohexyl-4-fluorobenzimidazol-1-yl)-N-ethylpropanamide (CID 170097361) is N-cyclohexyl-3-(2-cyclohexyl-4-fluorobenzimidazol-1-yl)-N-ethylpropanamide.
What is the SMILES notation for N-cyclohexyl-3-(2-cyclohexyl-4-fluorobenzimidazol-1-yl)-N-ethylpropanamide?
The canonical SMILES for N-cyclohexyl-3-(2-cyclohexyl-4-fluorobenzimidazol-1-yl)-N-ethylpropanamide is CCN(C(=O)CCn1c(C2CCCCC2)nc2c(F)cccc21)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-3-(2-cyclohexyl-4-fluorobenzimidazol-1-yl)-N-ethylpropanamide?
The InChIKey is YLDANOFUVQQFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34FN3O/c1-2-27(19-12-7-4-8-13-19)22(29)16-17-28-21-15-9-14-20(25)23(21)26-24(28)18-10-5-3-6-11-18/h9,14-15,18-19H,2-8,10-13,16-17H2,1H3.
What are the key properties of N-cyclohexyl-3-(2-cyclohexyl-4-fluorobenzimidazol-1-yl)-N-ethylpropanamide?
N-cyclohexyl-3-(2-cyclohexyl-4-fluorobenzimidazol-1-yl)-N-ethylpropanamide has a molecular weight of 399.55 g/mol, XLogP of 5.79, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-(2-cyclohexyl-4-fluorobenzimidazol-1-yl)-N-ethylpropanamide is sourced from PubChem (CID 170097361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).