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

C20H24N4O2 — CID 165419779

IUPAC3-methoxy-4-[4-methyl-6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]phenol
SMILESCOc1cc(O)ccc1-c1nc2c(C)cc(N3CCN(C)CC3)cc2[nH]1
InChIInChI=1S/C20H24N4O2/c1-13-10-14(24-8-6-23(2)7-9-24)11-17-19(13)22-20(21-17)16-5-4-15(25)12-18(16)26-3/h4-5,10-12,25H,6-9H2,1-3H3,(H,21,22)
InChIKeyZWWSSLZWSOVUNJ-UHFFFAOYSA-N
MW352.44 g/mol
LogP3.00
Rot. Bonds3

About 3-methoxy-4-[4-methyl-6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]phenol

3-methoxy-4-[4-methyl-6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]phenol (PubChem CID 165419779) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 3-methoxy-4-[4-methyl-6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]phenol.

Molecular Properties

Compound Name3-methoxy-4-[4-methyl-6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]phenol
PubChem CID165419779
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name3-methoxy-4-[4-methyl-6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]phenol
SMILESCOc1cc(O)ccc1-c1nc2c(C)cc(N3CCN(C)CC3)cc2[nH]1
InChIInChI=1S/C20H24N4O2/c1-13-10-14(24-8-6-23(2)7-9-24)11-17-19(13)22-20(21-17)16-5-4-15(25)12-18(16)26-3/h4-5,10-12,25H,6-9H2,1-3H3,(H,21,22)
InChIKeyZWWSSLZWSOVUNJ-UHFFFAOYSA-N
XLogP3.00
TPSA64.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

formic acid;4-methoxy-3-[4-methyl-6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]phenol
CID 171322423
formic acid;2-methoxy-4-[4-methyl-6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]phenol
CID 166598221
2-(furan-2-yl)-4-methyl-6-(4-methylpiperazin-1-yl)-1H-benzimidazole
CID 165417668
2-(1,5-dimethylpyrazol-4-yl)-4-methyl-6-(4-methylpiperazin-1-yl)-1H-benzimidazole
CID 165428343
4-methyl-6-(4-methylpiperazin-1-yl)-2-(1H-pyrrol-2-yl)-1H-benzimidazole
CID 165421492
4-methyl-6-(4-methylpiperazin-1-yl)-2-pyridin-2-yl-1H-benzimidazole
CID 165428070
2-(2,3-dimethylimidazol-4-yl)-4-methyl-6-(4-methylpiperazin-1-yl)-1H-benzimidazole
CID 164698994
2-(1,3-benzodioxol-5-yl)-4-methyl-6-(4-methylpiperazin-1-yl)-1H-benzimidazole
CID 165426258
2-[4-[4-methyl-6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]phenyl]ethanamine
CID 165428200
4-methyl-6-(4-methylpiperazin-1-yl)-2-(3-propan-2-ylimidazol-4-yl)-1H-benzimidazole
CID 165428738
4-methyl-6-(4-methylpiperazin-1-yl)-2-[5-(oxan-2-yl)furan-2-yl]-1H-benzimidazole
CID 164694130
4-methyl-6-(4-methylpiperazin-1-yl)-2-(1-pyridin-2-ylpyrrol-2-yl)-1H-benzimidazole
CID 165428770

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[4-methyl-6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]phenol?
The IUPAC name of 3-methoxy-4-[4-methyl-6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]phenol (CID 165419779) is 3-methoxy-4-[4-methyl-6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]phenol.
What is the SMILES notation for 3-methoxy-4-[4-methyl-6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]phenol?
The canonical SMILES for 3-methoxy-4-[4-methyl-6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]phenol is COc1cc(O)ccc1-c1nc2c(C)cc(N3CCN(C)CC3)cc2[nH]1.
What is the InChIKey of 3-methoxy-4-[4-methyl-6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]phenol?
The InChIKey is ZWWSSLZWSOVUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-13-10-14(24-8-6-23(2)7-9-24)11-17-19(13)22-20(21-17)16-5-4-15(25)12-18(16)26-3/h4-5,10-12,25H,6-9H2,1-3H3,(H,21,22).
What are the key properties of 3-methoxy-4-[4-methyl-6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]phenol?
3-methoxy-4-[4-methyl-6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]phenol has a molecular weight of 352.44 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[4-methyl-6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]phenol is sourced from PubChem (CID 165419779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).