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

C18H25N5O2 — CID 18783850

IUPAC2-[4-(4-piperazin-1-yl-1H-benzimidazol-2-yl)piperidin-1-yl]acetic acid
SMILESO=C(O)CN1CCC(c2nc3c(N4CCNCC4)cccc3[nH]2)CC1
InChIInChI=1S/C18H25N5O2/c24-16(25)12-22-8-4-13(5-9-22)18-20-14-2-1-3-15(17(14)21-18)23-10-6-19-7-11-23/h1-3,13,19H,4-12H2,(H,20,21)(H,24,25)
InChIKeyCUJGXWXRLKYAFJ-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.24
Rot. Bonds4

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

2-[4-(4-piperazin-1-yl-1H-benzimidazol-2-yl)piperidin-1-yl]acetic acid (PubChem CID 18783850) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-[4-(4-piperazin-1-yl-1H-benzimidazol-2-yl)piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(4-piperazin-1-yl-1H-benzimidazol-2-yl)piperidin-1-yl]acetic acid
PubChem CID18783850
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name2-[4-(4-piperazin-1-yl-1H-benzimidazol-2-yl)piperidin-1-yl]acetic acid
SMILESO=C(O)CN1CCC(c2nc3c(N4CCNCC4)cccc3[nH]2)CC1
InChIInChI=1S/C18H25N5O2/c24-16(25)12-22-8-4-13(5-9-22)18-20-14-2-1-3-15(17(14)21-18)23-10-6-19-7-11-23/h1-3,13,19H,4-12H2,(H,20,21)(H,24,25)
InChIKeyCUJGXWXRLKYAFJ-UHFFFAOYSA-N
XLogP1.24
TPSA84.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-piperazin-1-yl-1H-benzimidazol-2-yl)piperidin-1-yl]acetic acid?
The IUPAC name of 2-[4-(4-piperazin-1-yl-1H-benzimidazol-2-yl)piperidin-1-yl]acetic acid (CID 18783850) is 2-[4-(4-piperazin-1-yl-1H-benzimidazol-2-yl)piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(4-piperazin-1-yl-1H-benzimidazol-2-yl)piperidin-1-yl]acetic acid?
The canonical SMILES for 2-[4-(4-piperazin-1-yl-1H-benzimidazol-2-yl)piperidin-1-yl]acetic acid is O=C(O)CN1CCC(c2nc3c(N4CCNCC4)cccc3[nH]2)CC1.
What is the InChIKey of 2-[4-(4-piperazin-1-yl-1H-benzimidazol-2-yl)piperidin-1-yl]acetic acid?
The InChIKey is CUJGXWXRLKYAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c24-16(25)12-22-8-4-13(5-9-22)18-20-14-2-1-3-15(17(14)21-18)23-10-6-19-7-11-23/h1-3,13,19H,4-12H2,(H,20,21)(H,24,25).
What are the key properties of 2-[4-(4-piperazin-1-yl-1H-benzimidazol-2-yl)piperidin-1-yl]acetic acid?
2-[4-(4-piperazin-1-yl-1H-benzimidazol-2-yl)piperidin-1-yl]acetic acid has a molecular weight of 343.43 g/mol, XLogP of 1.24, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-piperazin-1-yl-1H-benzimidazol-2-yl)piperidin-1-yl]acetic acid is sourced from PubChem (CID 18783850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).