4-[(4-methylpiperazin-1-yl)methyl]-2-phenyl-1H-benzimidazol-5-ol

C19H22N4O — CID 70691641

IUPAC4-[(4-methylpiperazin-1-yl)methyl]-2-phenyl-1H-benzimidazol-5-ol
SMILESCN1CCN(Cc2c(O)ccc3[nH]c(-c4ccccc4)nc23)CC1
InChIInChI=1S/C19H22N4O/c1-22-9-11-23(12-10-22)13-15-17(24)8-7-16-18(15)21-19(20-16)14-5-3-2-4-6-14/h2-8,24H,9-13H2,1H3,(H,20,21)
InChIKeyYFPIEHCERJZNFC-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.68
Rot. Bonds3

About 4-[(4-methylpiperazin-1-yl)methyl]-2-phenyl-1H-benzimidazol-5-ol

4-[(4-methylpiperazin-1-yl)methyl]-2-phenyl-1H-benzimidazol-5-ol (PubChem CID 70691641) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 4-[(4-methylpiperazin-1-yl)methyl]-2-phenyl-1H-benzimidazol-5-ol.

Molecular Properties

Compound Name4-[(4-methylpiperazin-1-yl)methyl]-2-phenyl-1H-benzimidazol-5-ol
PubChem CID70691641
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name4-[(4-methylpiperazin-1-yl)methyl]-2-phenyl-1H-benzimidazol-5-ol
SMILESCN1CCN(Cc2c(O)ccc3[nH]c(-c4ccccc4)nc23)CC1
InChIInChI=1S/C19H22N4O/c1-22-9-11-23(12-10-22)13-15-17(24)8-7-16-18(15)21-19(20-16)14-5-3-2-4-6-14/h2-8,24H,9-13H2,1H3,(H,20,21)
InChIKeyYFPIEHCERJZNFC-UHFFFAOYSA-N
XLogP2.68
TPSA55.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylpiperazin-1-yl)methyl]-2-phenyl-1H-benzimidazol-5-ol?
The IUPAC name of 4-[(4-methylpiperazin-1-yl)methyl]-2-phenyl-1H-benzimidazol-5-ol (CID 70691641) is 4-[(4-methylpiperazin-1-yl)methyl]-2-phenyl-1H-benzimidazol-5-ol.
What is the SMILES notation for 4-[(4-methylpiperazin-1-yl)methyl]-2-phenyl-1H-benzimidazol-5-ol?
The canonical SMILES for 4-[(4-methylpiperazin-1-yl)methyl]-2-phenyl-1H-benzimidazol-5-ol is CN1CCN(Cc2c(O)ccc3[nH]c(-c4ccccc4)nc23)CC1.
What is the InChIKey of 4-[(4-methylpiperazin-1-yl)methyl]-2-phenyl-1H-benzimidazol-5-ol?
The InChIKey is YFPIEHCERJZNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-22-9-11-23(12-10-22)13-15-17(24)8-7-16-18(15)21-19(20-16)14-5-3-2-4-6-14/h2-8,24H,9-13H2,1H3,(H,20,21).
What are the key properties of 4-[(4-methylpiperazin-1-yl)methyl]-2-phenyl-1H-benzimidazol-5-ol?
4-[(4-methylpiperazin-1-yl)methyl]-2-phenyl-1H-benzimidazol-5-ol has a molecular weight of 322.41 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylpiperazin-1-yl)methyl]-2-phenyl-1H-benzimidazol-5-ol is sourced from PubChem (CID 70691641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).