1-(6-chloro-1-cyclobutyl-5-fluorobenzimidazol-2-yl)-N-cyclopentylpiperidine-4-carboxamide

C22H28ClFN4O — CID 67034729

IUPAC1-(6-chloro-1-cyclobutyl-5-fluorobenzimidazol-2-yl)-N-cyclopentylpiperidine-4-carboxamide
SMILESO=C(NC1CCCC1)C1CCN(c2nc3cc(F)c(Cl)cc3n2C2CCC2)CC1
InChIInChI=1S/C22H28ClFN4O/c23-17-12-20-19(13-18(17)24)26-22(28(20)16-6-3-7-16)27-10-8-14(9-11-27)21(29)25-15-4-1-2-5-15/h12-16H,1-11H2,(H,25,29)
InChIKeyIBRAXCLPSYLNGS-UHFFFAOYSA-N
MW418.94 g/mol
LogP4.83
Rot. Bonds4

About 1-(6-chloro-1-cyclobutyl-5-fluorobenzimidazol-2-yl)-N-cyclopentylpiperidine-4-carboxamide

1-(6-chloro-1-cyclobutyl-5-fluorobenzimidazol-2-yl)-N-cyclopentylpiperidine-4-carboxamide (PubChem CID 67034729) has the molecular formula C22H28ClFN4O and a molecular weight of 418.94 g/mol. Its IUPAC name is 1-(6-chloro-1-cyclobutyl-5-fluorobenzimidazol-2-yl)-N-cyclopentylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-chloro-1-cyclobutyl-5-fluorobenzimidazol-2-yl)-N-cyclopentylpiperidine-4-carboxamide
PubChem CID67034729
Molecular FormulaC22H28ClFN4O
Molecular Weight418.94 g/mol
Exact Mass418.19
IUPAC Name1-(6-chloro-1-cyclobutyl-5-fluorobenzimidazol-2-yl)-N-cyclopentylpiperidine-4-carboxamide
SMILESO=C(NC1CCCC1)C1CCN(c2nc3cc(F)c(Cl)cc3n2C2CCC2)CC1
InChIInChI=1S/C22H28ClFN4O/c23-17-12-20-19(13-18(17)24)26-22(28(20)16-6-3-7-16)27-10-8-14(9-11-27)21(29)25-15-4-1-2-5-15/h12-16H,1-11H2,(H,25,29)
InChIKeyIBRAXCLPSYLNGS-UHFFFAOYSA-N
XLogP4.83
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.94
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-1-cyclobutyl-5-fluorobenzimidazol-2-yl)-N-cyclopentylpiperidine-4-carboxamide?
The IUPAC name of 1-(6-chloro-1-cyclobutyl-5-fluorobenzimidazol-2-yl)-N-cyclopentylpiperidine-4-carboxamide (CID 67034729) is 1-(6-chloro-1-cyclobutyl-5-fluorobenzimidazol-2-yl)-N-cyclopentylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(6-chloro-1-cyclobutyl-5-fluorobenzimidazol-2-yl)-N-cyclopentylpiperidine-4-carboxamide?
The canonical SMILES for 1-(6-chloro-1-cyclobutyl-5-fluorobenzimidazol-2-yl)-N-cyclopentylpiperidine-4-carboxamide is O=C(NC1CCCC1)C1CCN(c2nc3cc(F)c(Cl)cc3n2C2CCC2)CC1.
What is the InChIKey of 1-(6-chloro-1-cyclobutyl-5-fluorobenzimidazol-2-yl)-N-cyclopentylpiperidine-4-carboxamide?
The InChIKey is IBRAXCLPSYLNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClFN4O/c23-17-12-20-19(13-18(17)24)26-22(28(20)16-6-3-7-16)27-10-8-14(9-11-27)21(29)25-15-4-1-2-5-15/h12-16H,1-11H2,(H,25,29).
What are the key properties of 1-(6-chloro-1-cyclobutyl-5-fluorobenzimidazol-2-yl)-N-cyclopentylpiperidine-4-carboxamide?
1-(6-chloro-1-cyclobutyl-5-fluorobenzimidazol-2-yl)-N-cyclopentylpiperidine-4-carboxamide has a molecular weight of 418.94 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-1-cyclobutyl-5-fluorobenzimidazol-2-yl)-N-cyclopentylpiperidine-4-carboxamide is sourced from PubChem (CID 67034729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).