N-(benzimidazol-1-yl)-4-(2-fluorophenyl)piperazine-1-carboxamide

C18H18FN5O — CID 41430373

IUPACN-(benzimidazol-1-yl)-4-(2-fluorophenyl)piperazine-1-carboxamide
SMILESO=C(Nn1cnc2ccccc21)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C18H18FN5O/c19-14-5-1-3-7-16(14)22-9-11-23(12-10-22)18(25)21-24-13-20-15-6-2-4-8-17(15)24/h1-8,13H,9-12H2,(H,21,25)
InChIKeyNQYJXZJKDFPTSE-UHFFFAOYSA-N
MW339.37 g/mol
LogP2.66
Rot. Bonds2

About N-(benzimidazol-1-yl)-4-(2-fluorophenyl)piperazine-1-carboxamide

N-(benzimidazol-1-yl)-4-(2-fluorophenyl)piperazine-1-carboxamide (PubChem CID 41430373) has the molecular formula C18H18FN5O and a molecular weight of 339.37 g/mol. Its IUPAC name is N-(benzimidazol-1-yl)-4-(2-fluorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(benzimidazol-1-yl)-4-(2-fluorophenyl)piperazine-1-carboxamide
PubChem CID41430373
Molecular FormulaC18H18FN5O
Molecular Weight339.37 g/mol
Exact Mass339.15
IUPAC NameN-(benzimidazol-1-yl)-4-(2-fluorophenyl)piperazine-1-carboxamide
SMILESO=C(Nn1cnc2ccccc21)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C18H18FN5O/c19-14-5-1-3-7-16(14)22-9-11-23(12-10-22)18(25)21-24-13-20-15-6-2-4-8-17(15)24/h1-8,13H,9-12H2,(H,21,25)
InChIKeyNQYJXZJKDFPTSE-UHFFFAOYSA-N
XLogP2.66
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-fluorophenyl)-N-methoxypiperazine-1-carboxamide
CID 47139754
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CID 41474334
2-(benzimidazol-1-ylcarbamoyl)benzoic acid
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N-benzhydryl-4-(2-fluorophenyl)piperazine-1-carboxamide
CID 108867571
4-(2-fluorophenyl)-N-(1,2-oxazol-5-yl)piperazine-1-carboxamide
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1-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 108521142
N-butan-2-yl-4-(2-fluorophenyl)piperazine-1-carboxamide
CID 4069653
4-(2-fluorophenyl)-N'-(thiophene-2-carbonyl)piperazine-1-carbohydrazide
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[4-(2-fluorophenyl)piperazin-1-yl]-quinolin-4-ylmethanone
CID 110694885
4-(2-fluorophenyl)-N-[(E)-2-phenylethenyl]piperazine-1-carboxamide
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2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetohydrazide
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methyl 2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetate
CID 112683958

Frequently Asked Questions

What is the IUPAC name of N-(benzimidazol-1-yl)-4-(2-fluorophenyl)piperazine-1-carboxamide?
The IUPAC name of N-(benzimidazol-1-yl)-4-(2-fluorophenyl)piperazine-1-carboxamide (CID 41430373) is N-(benzimidazol-1-yl)-4-(2-fluorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(benzimidazol-1-yl)-4-(2-fluorophenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(benzimidazol-1-yl)-4-(2-fluorophenyl)piperazine-1-carboxamide is O=C(Nn1cnc2ccccc21)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of N-(benzimidazol-1-yl)-4-(2-fluorophenyl)piperazine-1-carboxamide?
The InChIKey is NQYJXZJKDFPTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O/c19-14-5-1-3-7-16(14)22-9-11-23(12-10-22)18(25)21-24-13-20-15-6-2-4-8-17(15)24/h1-8,13H,9-12H2,(H,21,25).
What are the key properties of N-(benzimidazol-1-yl)-4-(2-fluorophenyl)piperazine-1-carboxamide?
N-(benzimidazol-1-yl)-4-(2-fluorophenyl)piperazine-1-carboxamide has a molecular weight of 339.37 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzimidazol-1-yl)-4-(2-fluorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 41430373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).