N-[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazol-5-yl]furan-2-carboxamide

C25H26FN5O2 — CID 666808

IUPACN-[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazol-5-yl]furan-2-carboxamide
SMILESCn1c(CCN2CCN(c3ccc(F)cc3)CC2)nc2cc(NC(=O)c3ccco3)ccc21
InChIInChI=1S/C25H26FN5O2/c1-29-22-9-6-19(27-25(32)23-3-2-16-33-23)17-21(22)28-24(29)10-11-30-12-14-31(15-13-30)20-7-4-18(26)5-8-20/h2-9,16-17H,10-15H2,1H3,(H,27,32)
InChIKeyBGSGOOXGCUTSNH-UHFFFAOYSA-N
MW447.51 g/mol
LogP3.92
Rot. Bonds6

About N-[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazol-5-yl]furan-2-carboxamide

N-[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazol-5-yl]furan-2-carboxamide (PubChem CID 666808) has the molecular formula C25H26FN5O2 and a molecular weight of 447.51 g/mol. Its IUPAC name is N-[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazol-5-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazol-5-yl]furan-2-carboxamide
PubChem CID666808
Molecular FormulaC25H26FN5O2
Molecular Weight447.51 g/mol
Exact Mass447.21
IUPAC NameN-[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazol-5-yl]furan-2-carboxamide
SMILESCn1c(CCN2CCN(c3ccc(F)cc3)CC2)nc2cc(NC(=O)c3ccco3)ccc21
InChIInChI=1S/C25H26FN5O2/c1-29-22-9-6-19(27-25(32)23-3-2-16-33-23)17-21(22)28-24(29)10-11-30-12-14-31(15-13-30)20-7-4-18(26)5-8-20/h2-9,16-17H,10-15H2,1H3,(H,27,32)
InChIKeyBGSGOOXGCUTSNH-UHFFFAOYSA-N
XLogP3.92
TPSA66.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.51
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazol-5-yl]furan-2-carboxamide?
The IUPAC name of N-[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazol-5-yl]furan-2-carboxamide (CID 666808) is N-[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazol-5-yl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazol-5-yl]furan-2-carboxamide?
The canonical SMILES for N-[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazol-5-yl]furan-2-carboxamide is Cn1c(CCN2CCN(c3ccc(F)cc3)CC2)nc2cc(NC(=O)c3ccco3)ccc21.
What is the InChIKey of N-[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazol-5-yl]furan-2-carboxamide?
The InChIKey is BGSGOOXGCUTSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN5O2/c1-29-22-9-6-19(27-25(32)23-3-2-16-33-23)17-21(22)28-24(29)10-11-30-12-14-31(15-13-30)20-7-4-18(26)5-8-20/h2-9,16-17H,10-15H2,1H3,(H,27,32).
What are the key properties of N-[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazol-5-yl]furan-2-carboxamide?
N-[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazol-5-yl]furan-2-carboxamide has a molecular weight of 447.51 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazol-5-yl]furan-2-carboxamide is sourced from PubChem (CID 666808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).