4-[4-[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl]piperazin-1-yl]phenol

C25H25ClN4O — CID 30238912

IUPAC4-[4-[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl]piperazin-1-yl]phenol
SMILESOc1ccc(N2CCN(Cc3nc4cc(Cl)ccc4n3Cc3ccccc3)CC2)cc1
InChIInChI=1S/C25H25ClN4O/c26-20-6-11-24-23(16-20)27-25(30(24)17-19-4-2-1-3-5-19)18-28-12-14-29(15-13-28)21-7-9-22(31)10-8-21/h1-11,16,31H,12-15,17-18H2
InChIKeyGMRNMCQQXZYLCM-UHFFFAOYSA-N
MW432.96 g/mol
LogP4.77
Rot. Bonds5

About 4-[4-[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl]piperazin-1-yl]phenol

4-[4-[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl]piperazin-1-yl]phenol (PubChem CID 30238912) has the molecular formula C25H25ClN4O and a molecular weight of 432.96 g/mol. Its IUPAC name is 4-[4-[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl]piperazin-1-yl]phenol.

Molecular Properties

Compound Name4-[4-[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl]piperazin-1-yl]phenol
PubChem CID30238912
Molecular FormulaC25H25ClN4O
Molecular Weight432.96 g/mol
Exact Mass432.17
IUPAC Name4-[4-[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl]piperazin-1-yl]phenol
SMILESOc1ccc(N2CCN(Cc3nc4cc(Cl)ccc4n3Cc3ccccc3)CC2)cc1
InChIInChI=1S/C25H25ClN4O/c26-20-6-11-24-23(16-20)27-25(30(24)17-19-4-2-1-3-5-19)18-28-12-14-29(15-13-28)21-7-9-22(31)10-8-21/h1-11,16,31H,12-15,17-18H2
InChIKeyGMRNMCQQXZYLCM-UHFFFAOYSA-N
XLogP4.77
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.96
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl]piperidin-3-ol
CID 95378823
1-[4-[(1-benzyl-6-chlorobenzimidazol-2-yl)methyl]piperazin-1-yl]ethanone
CID 134084276
1-[(3-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole;trihydrochloride
CID 90665116
4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]phenol
CID 36839442
1-benzyl-2-(piperidin-1-ylmethyl)benzimidazole
CID 2986295
[1-[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine;dihydrochloride
CID 120773364
1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole;hydroiodide
CID 134350366
1-benzyl-2-[[4-(2,4-difluorophenyl)sulfanylpiperazin-1-yl]methyl]benzimidazole
CID 144572794
4-[(1-benzylbenzimidazol-2-yl)methyl]piperazine-1-carbaldehyde
CID 90040131
3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]phenol
CID 2838458
1-butyl-2-[[4-(4-hydroxyphenyl)piperazin-1-yl]methyl]benzimidazole-5-sulfonamide
CID 39777111
3-[5-chloro-2-(pyrrolidin-1-ylmethyl)benzimidazol-1-yl]propan-1-ol
CID 82311826

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl]piperazin-1-yl]phenol?
The IUPAC name of 4-[4-[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl]piperazin-1-yl]phenol (CID 30238912) is 4-[4-[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl]piperazin-1-yl]phenol.
What is the SMILES notation for 4-[4-[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl]piperazin-1-yl]phenol?
The canonical SMILES for 4-[4-[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl]piperazin-1-yl]phenol is Oc1ccc(N2CCN(Cc3nc4cc(Cl)ccc4n3Cc3ccccc3)CC2)cc1.
What is the InChIKey of 4-[4-[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl]piperazin-1-yl]phenol?
The InChIKey is GMRNMCQQXZYLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN4O/c26-20-6-11-24-23(16-20)27-25(30(24)17-19-4-2-1-3-5-19)18-28-12-14-29(15-13-28)21-7-9-22(31)10-8-21/h1-11,16,31H,12-15,17-18H2.
What are the key properties of 4-[4-[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl]piperazin-1-yl]phenol?
4-[4-[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl]piperazin-1-yl]phenol has a molecular weight of 432.96 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl]piperazin-1-yl]phenol is sourced from PubChem (CID 30238912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).