4-[1-(4-fluorophenyl)benzimidazol-5-yl]-N-(2-piperidin-1-ylethyl)benzamide

C27H27FN4O — CID 11590339

IUPAC4-[1-(4-fluorophenyl)benzimidazol-5-yl]-N-(2-piperidin-1-ylethyl)benzamide
SMILESO=C(NCCN1CCCCC1)c1ccc(-c2ccc3c(c2)ncn3-c2ccc(F)cc2)cc1
InChIInChI=1S/C27H27FN4O/c28-23-9-11-24(12-10-23)32-19-30-25-18-22(8-13-26(25)32)20-4-6-21(7-5-20)27(33)29-14-17-31-15-2-1-3-16-31/h4-13,18-19H,1-3,14-17H2,(H,29,33)
InChIKeyDQWWQYZUOMPVPY-UHFFFAOYSA-N
MW442.54 g/mol
LogP5.05
Rot. Bonds6

About 4-[1-(4-fluorophenyl)benzimidazol-5-yl]-N-(2-piperidin-1-ylethyl)benzamide

4-[1-(4-fluorophenyl)benzimidazol-5-yl]-N-(2-piperidin-1-ylethyl)benzamide (PubChem CID 11590339) has the molecular formula C27H27FN4O and a molecular weight of 442.54 g/mol. Its IUPAC name is 4-[1-(4-fluorophenyl)benzimidazol-5-yl]-N-(2-piperidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name4-[1-(4-fluorophenyl)benzimidazol-5-yl]-N-(2-piperidin-1-ylethyl)benzamide
PubChem CID11590339
Molecular FormulaC27H27FN4O
Molecular Weight442.54 g/mol
Exact Mass442.22
IUPAC Name4-[1-(4-fluorophenyl)benzimidazol-5-yl]-N-(2-piperidin-1-ylethyl)benzamide
SMILESO=C(NCCN1CCCCC1)c1ccc(-c2ccc3c(c2)ncn3-c2ccc(F)cc2)cc1
InChIInChI=1S/C27H27FN4O/c28-23-9-11-24(12-10-23)32-19-30-25-18-22(8-13-26(25)32)20-4-6-21(7-5-20)27(33)29-14-17-31-15-2-1-3-16-31/h4-13,18-19H,1-3,14-17H2,(H,29,33)
InChIKeyDQWWQYZUOMPVPY-UHFFFAOYSA-N
XLogP5.05
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.54
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[3-(4-fluorophenoxy)propoxy]phenyl]-N-(2-morpholin-4-ylethyl)benzimidazole-5-carboxamide
CID 67011702
4-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-(2-piperidin-1-ylethyl)benzamide
CID 53078149
N-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]ethyl]-4-fluorobenzamide
CID 29200105
4-fluoro-N-(2-piperazin-1-ylethyl)benzamide
CID 10753244
3-(4-fluorophenyl)-N-(2-piperidin-1-ylethyl)-1,2,4-oxadiazole-5-carboxamide
CID 42581866
5-[(4-fluorophenyl)methyl]-4-oxo-N-(2-piperidin-1-ylethyl)pyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 91903292
1-(4-fluorophenyl)-3-(4-methoxyphenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide
CID 5026916
4-(1,3-dioxoisoindol-2-yl)-N-(2-piperidin-1-ylethyl)benzamide
CID 168519610
1-(3-fluorophenyl)-N-propylbenzimidazole-5-carboxamide
CID 3447663
1-(4-fluorobenzoyl)-N-(2-piperidin-1-ylethyl)-2,3-dihydroindole-6-carboxamide
CID 53160376
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzamide
CID 42266693
1-cyclohexyl-N-(2-morpholin-4-ylethyl)benzimidazole-5-carboxamide
CID 3243473

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-fluorophenyl)benzimidazol-5-yl]-N-(2-piperidin-1-ylethyl)benzamide?
The IUPAC name of 4-[1-(4-fluorophenyl)benzimidazol-5-yl]-N-(2-piperidin-1-ylethyl)benzamide (CID 11590339) is 4-[1-(4-fluorophenyl)benzimidazol-5-yl]-N-(2-piperidin-1-ylethyl)benzamide.
What is the SMILES notation for 4-[1-(4-fluorophenyl)benzimidazol-5-yl]-N-(2-piperidin-1-ylethyl)benzamide?
The canonical SMILES for 4-[1-(4-fluorophenyl)benzimidazol-5-yl]-N-(2-piperidin-1-ylethyl)benzamide is O=C(NCCN1CCCCC1)c1ccc(-c2ccc3c(c2)ncn3-c2ccc(F)cc2)cc1.
What is the InChIKey of 4-[1-(4-fluorophenyl)benzimidazol-5-yl]-N-(2-piperidin-1-ylethyl)benzamide?
The InChIKey is DQWWQYZUOMPVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN4O/c28-23-9-11-24(12-10-23)32-19-30-25-18-22(8-13-26(25)32)20-4-6-21(7-5-20)27(33)29-14-17-31-15-2-1-3-16-31/h4-13,18-19H,1-3,14-17H2,(H,29,33).
What are the key properties of 4-[1-(4-fluorophenyl)benzimidazol-5-yl]-N-(2-piperidin-1-ylethyl)benzamide?
4-[1-(4-fluorophenyl)benzimidazol-5-yl]-N-(2-piperidin-1-ylethyl)benzamide has a molecular weight of 442.54 g/mol, XLogP of 5.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-fluorophenyl)benzimidazol-5-yl]-N-(2-piperidin-1-ylethyl)benzamide is sourced from PubChem (CID 11590339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).