2-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-1,3-benzoxazole

C20H20FN5O — CID 126858331

IUPAC2-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-1,3-benzoxazole
SMILESFc1ccc2c(c1)ncn2CCN1CCN(c2nc3ccccc3o2)CC1
InChIInChI=1S/C20H20FN5O/c21-15-5-6-18-17(13-15)22-14-26(18)12-9-24-7-10-25(11-8-24)20-23-16-3-1-2-4-19(16)27-20/h1-6,13-14H,7-12H2
InChIKeyAFPZCKIYECXSBX-UHFFFAOYSA-N
MW365.41 g/mol
LogP3.14
Rot. Bonds4

About 2-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-1,3-benzoxazole

2-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-1,3-benzoxazole (PubChem CID 126858331) has the molecular formula C20H20FN5O and a molecular weight of 365.41 g/mol. Its IUPAC name is 2-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-1,3-benzoxazole
PubChem CID126858331
Molecular FormulaC20H20FN5O
Molecular Weight365.41 g/mol
Exact Mass365.17
IUPAC Name2-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-1,3-benzoxazole
SMILESFc1ccc2c(c1)ncn2CCN1CCN(c2nc3ccccc3o2)CC1
InChIInChI=1S/C20H20FN5O/c21-15-5-6-18-17(13-15)22-14-26(18)12-9-24-7-10-25(11-8-24)20-23-16-3-1-2-4-19(16)27-20/h1-6,13-14H,7-12H2
InChIKeyAFPZCKIYECXSBX-UHFFFAOYSA-N
XLogP3.14
TPSA50.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-1,3-thiazole
CID 126858355
2-(4-propylpiperazin-1-yl)-1,3-benzoxazole
CID 11395660
2-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-1,3,4-thiadiazole
CID 126858621
7-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine
CID 126858667
2-[4-(2-phenoxyethyl)piperazin-1-yl]-1,3-benzoxazole
CID 146080024
2-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-1,3-benzoxazole
CID 126770624
N-[2-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]ethyl]-2-fluorobenzamide
CID 133293554
2-[4-(1,3-benzoxazol-2-yl)-1,4-diazepan-1-yl]-1,3-benzoxazole
CID 14792326
6-fluoro-2-(4-methylpiperazin-1-yl)-1,3-benzoxazole
CID 175649082
[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone
CID 126858222
[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 126858225
3-[2-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]ethyl]benzo[f]benzotriazole-4,9-dione
CID 130182327

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-1,3-benzoxazole?
The IUPAC name of 2-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-1,3-benzoxazole (CID 126858331) is 2-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-1,3-benzoxazole?
The canonical SMILES for 2-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-1,3-benzoxazole is Fc1ccc2c(c1)ncn2CCN1CCN(c2nc3ccccc3o2)CC1.
What is the InChIKey of 2-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-1,3-benzoxazole?
The InChIKey is AFPZCKIYECXSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O/c21-15-5-6-18-17(13-15)22-14-26(18)12-9-24-7-10-25(11-8-24)20-23-16-3-1-2-4-19(16)27-20/h1-6,13-14H,7-12H2.
What are the key properties of 2-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-1,3-benzoxazole?
2-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-1,3-benzoxazole has a molecular weight of 365.41 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-1,3-benzoxazole is sourced from PubChem (CID 126858331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).