4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]phenol

C18H20N4O — CID 135731543

IUPAC4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]phenol
SMILESCN1CCN(c2ccc3nc(-c4ccc(O)cc4)[nH]c3c2)CC1
InChIInChI=1S/C18H20N4O/c1-21-8-10-22(11-9-21)14-4-7-16-17(12-14)20-18(19-16)13-2-5-15(23)6-3-13/h2-7,12,23H,8-11H2,1H3,(H,19,20)
InChIKeyKJHNXBVXVRECOY-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.69
Rot. Bonds2

About 4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]phenol

4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]phenol (PubChem CID 135731543) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is 4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]phenol.

Molecular Properties

Compound Name4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]phenol
PubChem CID135731543
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC Name4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]phenol
SMILESCN1CCN(c2ccc3nc(-c4ccc(O)cc4)[nH]c3c2)CC1
InChIInChI=1S/C18H20N4O/c1-21-8-10-22(11-9-21)14-4-7-16-17(12-14)20-18(19-16)13-2-5-15(23)6-3-13/h2-7,12,23H,8-11H2,1H3,(H,19,20)
InChIKeyKJHNXBVXVRECOY-UHFFFAOYSA-N
XLogP2.69
TPSA55.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]phenol?
The IUPAC name of 4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]phenol (CID 135731543) is 4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]phenol.
What is the SMILES notation for 4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]phenol?
The canonical SMILES for 4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]phenol is CN1CCN(c2ccc3nc(-c4ccc(O)cc4)[nH]c3c2)CC1.
What is the InChIKey of 4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]phenol?
The InChIKey is KJHNXBVXVRECOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-21-8-10-22(11-9-21)14-4-7-16-17(12-14)20-18(19-16)13-2-5-15(23)6-3-13/h2-7,12,23H,8-11H2,1H3,(H,19,20).
What are the key properties of 4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]phenol?
4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]phenol has a molecular weight of 308.39 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]phenol is sourced from PubChem (CID 135731543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).