4-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]benzoic acid

C18H18N4O2 — CID 18425264

IUPAC4-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]benzoic acid
SMILESO=C(O)c1ccc(N2CCN(c3nc4ccccc4[nH]3)CC2)cc1
InChIInChI=1S/C18H18N4O2/c23-17(24)13-5-7-14(8-6-13)21-9-11-22(12-10-21)18-19-15-3-1-2-4-16(15)20-18/h1-8H,9-12H2,(H,19,20)(H,23,24)
InChIKeyKYAMYVMDZSWBDW-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.59
Rot. Bonds3

About 4-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]benzoic acid

4-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]benzoic acid (PubChem CID 18425264) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 4-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]benzoic acid.

Molecular Properties

Compound Name4-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]benzoic acid
PubChem CID18425264
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name4-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]benzoic acid
SMILESO=C(O)c1ccc(N2CCN(c3nc4ccccc4[nH]3)CC2)cc1
InChIInChI=1S/C18H18N4O2/c23-17(24)13-5-7-14(8-6-13)21-9-11-22(12-10-21)18-19-15-3-1-2-4-16(15)20-18/h1-8H,9-12H2,(H,19,20)(H,23,24)
InChIKeyKYAMYVMDZSWBDW-UHFFFAOYSA-N
XLogP2.59
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 44565640
1-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]ethanone
CID 110376496
1-(1H-benzimidazol-2-yl)pyrrolidine-3-carboxylic acid
CID 120963990
2-piperidin-1-yl-3H-benzimidazole-5-carboxylic acid
CID 82563117
[(3S)-1-(1H-benzimidazol-2-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 92716106
4-[4-(4-carboxyphenyl)piperazin-1-yl]benzoic acid
CID 86748187
1-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone
CID 133410090
[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-(2-iodophenyl)methanone
CID 133282698
1-[4-(1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]prop-2-en-1-one
CID 126816820
1-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-4-phenylbutan-1-one
CID 133282678
[1-(1H-benzimidazol-2-yl)piperidin-4-yl] N-tert-butyl-N-methylcarbamate
CID 54562997
2-(4-methyl-1,4-diazepan-1-yl)-1H-benzimidazole
CID 10704647

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]benzoic acid?
The IUPAC name of 4-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]benzoic acid (CID 18425264) is 4-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]benzoic acid.
What is the SMILES notation for 4-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]benzoic acid?
The canonical SMILES for 4-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]benzoic acid is O=C(O)c1ccc(N2CCN(c3nc4ccccc4[nH]3)CC2)cc1.
What is the InChIKey of 4-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]benzoic acid?
The InChIKey is KYAMYVMDZSWBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c23-17(24)13-5-7-14(8-6-13)21-9-11-22(12-10-21)18-19-15-3-1-2-4-16(15)20-18/h1-8H,9-12H2,(H,19,20)(H,23,24).
What are the key properties of 4-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]benzoic acid?
4-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]benzoic acid has a molecular weight of 322.37 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]benzoic acid is sourced from PubChem (CID 18425264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).