N-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide

C24H30FN5O2 — CID 10741712

IUPACN-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide
SMILESCC(C)n1c(=O)n(C(=O)NCCN2CCN(Cc3ccc(F)cc3)CC2)c2ccccc21
InChIInChI=1S/C24H30FN5O2/c1-18(2)29-21-5-3-4-6-22(21)30(24(29)32)23(31)26-11-12-27-13-15-28(16-14-27)17-19-7-9-20(25)10-8-19/h3-10,18H,11-17H2,1-2H3,(H,26,31)
InChIKeyXXBHJFMTVZFUCA-UHFFFAOYSA-N
MW439.54 g/mol
LogP2.90
Rot. Bonds6

About N-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide

N-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide (PubChem CID 10741712) has the molecular formula C24H30FN5O2 and a molecular weight of 439.54 g/mol. Its IUPAC name is N-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide
PubChem CID10741712
Molecular FormulaC24H30FN5O2
Molecular Weight439.54 g/mol
Exact Mass439.24
IUPAC NameN-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide
SMILESCC(C)n1c(=O)n(C(=O)NCCN2CCN(Cc3ccc(F)cc3)CC2)c2ccccc21
InChIInChI=1S/C24H30FN5O2/c1-18(2)29-21-5-3-4-6-22(21)30(24(29)32)23(31)26-11-12-27-13-15-28(16-14-27)17-19-7-9-20(25)10-8-19/h3-10,18H,11-17H2,1-2H3,(H,26,31)
InChIKeyXXBHJFMTVZFUCA-UHFFFAOYSA-N
XLogP2.90
TPSA62.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide?
The IUPAC name of N-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide (CID 10741712) is N-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide.
What is the SMILES notation for N-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide?
The canonical SMILES for N-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide is CC(C)n1c(=O)n(C(=O)NCCN2CCN(Cc3ccc(F)cc3)CC2)c2ccccc21.
What is the InChIKey of N-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide?
The InChIKey is XXBHJFMTVZFUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN5O2/c1-18(2)29-21-5-3-4-6-22(21)30(24(29)32)23(31)26-11-12-27-13-15-28(16-14-27)17-19-7-9-20(25)10-8-19/h3-10,18H,11-17H2,1-2H3,(H,26,31).
What are the key properties of N-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide?
N-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide has a molecular weight of 439.54 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide is sourced from PubChem (CID 10741712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).