2-[5-[4-(furan-2-carbonyl)piperazin-1-yl]benzimidazol-1-yl]acetic acid

C18H18N4O4 — CID 83972307

IUPAC2-[5-[4-(furan-2-carbonyl)piperazin-1-yl]benzimidazol-1-yl]acetic acid
SMILESO=C(O)Cn1cnc2cc(N3CCN(C(=O)c4ccco4)CC3)ccc21
InChIInChI=1S/C18H18N4O4/c23-17(24)11-22-12-19-14-10-13(3-4-15(14)22)20-5-7-21(8-6-20)18(25)16-2-1-9-26-16/h1-4,9-10,12H,5-8,11H2,(H,23,24)
InChIKeyHSUXMNQCXBPGQK-UHFFFAOYSA-N
MW354.37 g/mol
LogP1.68
Rot. Bonds4

About 2-[5-[4-(furan-2-carbonyl)piperazin-1-yl]benzimidazol-1-yl]acetic acid

2-[5-[4-(furan-2-carbonyl)piperazin-1-yl]benzimidazol-1-yl]acetic acid (PubChem CID 83972307) has the molecular formula C18H18N4O4 and a molecular weight of 354.37 g/mol. Its IUPAC name is 2-[5-[4-(furan-2-carbonyl)piperazin-1-yl]benzimidazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[4-(furan-2-carbonyl)piperazin-1-yl]benzimidazol-1-yl]acetic acid
PubChem CID83972307
Molecular FormulaC18H18N4O4
Molecular Weight354.37 g/mol
Exact Mass354.13
IUPAC Name2-[5-[4-(furan-2-carbonyl)piperazin-1-yl]benzimidazol-1-yl]acetic acid
SMILESO=C(O)Cn1cnc2cc(N3CCN(C(=O)c4ccco4)CC3)ccc21
InChIInChI=1S/C18H18N4O4/c23-17(24)11-22-12-19-14-10-13(3-4-15(14)22)20-5-7-21(8-6-20)18(25)16-2-1-9-26-16/h1-4,9-10,12H,5-8,11H2,(H,23,24)
InChIKeyHSUXMNQCXBPGQK-UHFFFAOYSA-N
XLogP1.68
TPSA91.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-piperazin-1-ylbenzimidazol-1-yl)acetic acid
CID 83972310
furan-2-yl-[4-[2-(pyrrolidine-1-carbonyl)-4-pyridinyl]piperazin-1-yl]methanone
CID 109203676
[4-(3-chlorophenyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 669410
2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]acetic acid
CID 55119191
[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 3433092
4-[1-(2-phenylethyl)benzimidazol-5-yl]morpholine
CID 175767613
[4-(6-amino-5-methyl-3-pyridinyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 83970287
[4-[4-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 55823789
furan-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 759046
furan-2-yl-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 171130326
N-[3-(benzimidazol-1-yl)propyl]-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide
CID 111167463
N-butyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 109216191

Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-(furan-2-carbonyl)piperazin-1-yl]benzimidazol-1-yl]acetic acid?
The IUPAC name of 2-[5-[4-(furan-2-carbonyl)piperazin-1-yl]benzimidazol-1-yl]acetic acid (CID 83972307) is 2-[5-[4-(furan-2-carbonyl)piperazin-1-yl]benzimidazol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-[4-(furan-2-carbonyl)piperazin-1-yl]benzimidazol-1-yl]acetic acid?
The canonical SMILES for 2-[5-[4-(furan-2-carbonyl)piperazin-1-yl]benzimidazol-1-yl]acetic acid is O=C(O)Cn1cnc2cc(N3CCN(C(=O)c4ccco4)CC3)ccc21.
What is the InChIKey of 2-[5-[4-(furan-2-carbonyl)piperazin-1-yl]benzimidazol-1-yl]acetic acid?
The InChIKey is HSUXMNQCXBPGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4/c23-17(24)11-22-12-19-14-10-13(3-4-15(14)22)20-5-7-21(8-6-20)18(25)16-2-1-9-26-16/h1-4,9-10,12H,5-8,11H2,(H,23,24).
What are the key properties of 2-[5-[4-(furan-2-carbonyl)piperazin-1-yl]benzimidazol-1-yl]acetic acid?
2-[5-[4-(furan-2-carbonyl)piperazin-1-yl]benzimidazol-1-yl]acetic acid has a molecular weight of 354.37 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-(furan-2-carbonyl)piperazin-1-yl]benzimidazol-1-yl]acetic acid is sourced from PubChem (CID 83972307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).