4-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]phenol

C18H20N4O — CID 7998239

IUPAC4-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]phenol
SMILESOc1ccc(N2CCN(Cc3nc4ccccc4[nH]3)CC2)cc1
InChIInChI=1S/C18H20N4O/c23-15-7-5-14(6-8-15)22-11-9-21(10-12-22)13-18-19-16-3-1-2-4-17(16)20-18/h1-8,23H,9-13H2,(H,19,20)
InChIKeyJJQKBCIECKEMBR-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.59
Rot. Bonds3

About 4-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]phenol

4-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]phenol (PubChem CID 7998239) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is 4-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]phenol.

Molecular Properties

Compound Name4-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]phenol
PubChem CID7998239
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC Name4-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]phenol
SMILESOc1ccc(N2CCN(Cc3nc4ccccc4[nH]3)CC2)cc1
InChIInChI=1S/C18H20N4O/c23-15-7-5-14(6-8-15)22-11-9-21(10-12-22)13-18-19-16-3-1-2-4-17(16)20-18/h1-8,23H,9-13H2,(H,19,20)
InChIKeyJJQKBCIECKEMBR-UHFFFAOYSA-N
XLogP2.59
TPSA55.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]phenol?
The IUPAC name of 4-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]phenol (CID 7998239) is 4-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]phenol.
What is the SMILES notation for 4-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]phenol?
The canonical SMILES for 4-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]phenol is Oc1ccc(N2CCN(Cc3nc4ccccc4[nH]3)CC2)cc1.
What is the InChIKey of 4-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]phenol?
The InChIKey is JJQKBCIECKEMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c23-15-7-5-14(6-8-15)22-11-9-21(10-12-22)13-18-19-16-3-1-2-4-17(16)20-18/h1-8,23H,9-13H2,(H,19,20).
What are the key properties of 4-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]phenol?
4-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]phenol has a molecular weight of 308.39 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-ylmethyl)piperazin-1-yl]phenol is sourced from PubChem (CID 7998239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).