2-[3-fluoro-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]-1H-benzimidazole-4-carboxamide

C24H20FN5O4 — CID 177376740

IUPAC2-[3-fluoro-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cccc2[nH]c(-c3ccc(C(=O)N4CCN(C(=O)c5ccco5)CC4)c(F)c3)nc12
InChIInChI=1S/C24H20FN5O4/c25-17-13-14(22-27-18-4-1-3-16(21(26)31)20(18)28-22)6-7-15(17)23(32)29-8-10-30(11-9-29)24(33)19-5-2-12-34-19/h1-7,12-13H,8-11H2,(H2,26,31)(H,27,28)
InChIKeyVBFWUZPUICDYCV-UHFFFAOYSA-N
MW461.45 g/mol
LogP2.66
Rot. Bonds4

About 2-[3-fluoro-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]-1H-benzimidazole-4-carboxamide

2-[3-fluoro-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]-1H-benzimidazole-4-carboxamide (PubChem CID 177376740) has the molecular formula C24H20FN5O4 and a molecular weight of 461.45 g/mol. Its IUPAC name is 2-[3-fluoro-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-[3-fluoro-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]-1H-benzimidazole-4-carboxamide
PubChem CID177376740
Molecular FormulaC24H20FN5O4
Molecular Weight461.45 g/mol
Exact Mass461.15
IUPAC Name2-[3-fluoro-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cccc2[nH]c(-c3ccc(C(=O)N4CCN(C(=O)c5ccco5)CC4)c(F)c3)nc12
InChIInChI=1S/C24H20FN5O4/c25-17-13-14(22-27-18-4-1-3-16(21(26)31)20(18)28-22)6-7-15(17)23(32)29-8-10-30(11-9-29)24(33)19-5-2-12-34-19/h1-7,12-13H,8-11H2,(H2,26,31)(H,27,28)
InChIKeyVBFWUZPUICDYCV-UHFFFAOYSA-N
XLogP2.66
TPSA125.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.45
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-[3-fluoro-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]-1H-benzimidazole-4-carboxamide (CID 177376740) is 2-[3-fluoro-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-[3-fluoro-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-[3-fluoro-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]-1H-benzimidazole-4-carboxamide is NC(=O)c1cccc2[nH]c(-c3ccc(C(=O)N4CCN(C(=O)c5ccco5)CC4)c(F)c3)nc12.
What is the InChIKey of 2-[3-fluoro-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]-1H-benzimidazole-4-carboxamide?
The InChIKey is VBFWUZPUICDYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN5O4/c25-17-13-14(22-27-18-4-1-3-16(21(26)31)20(18)28-22)6-7-15(17)23(32)29-8-10-30(11-9-29)24(33)19-5-2-12-34-19/h1-7,12-13H,8-11H2,(H2,26,31)(H,27,28).
What are the key properties of 2-[3-fluoro-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]-1H-benzimidazole-4-carboxamide?
2-[3-fluoro-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]-1H-benzimidazole-4-carboxamide has a molecular weight of 461.45 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 177376740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).