2-[[[1-(4-methoxyphenyl)benzimidazol-5-yl]amino]methyl]phenol

C21H19N3O2 — CID 672701

IUPAC2-[[[1-(4-methoxyphenyl)benzimidazol-5-yl]amino]methyl]phenol
SMILESCOc1ccc(-n2cnc3cc(NCc4ccccc4O)ccc32)cc1
InChIInChI=1S/C21H19N3O2/c1-26-18-9-7-17(8-10-18)24-14-23-19-12-16(6-11-20(19)24)22-13-15-4-2-3-5-21(15)25/h2-12,14,22,25H,13H2,1H3
InChIKeyZGHBPZSDEAOJQX-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.35
Rot. Bonds5

About 2-[[[1-(4-methoxyphenyl)benzimidazol-5-yl]amino]methyl]phenol

2-[[[1-(4-methoxyphenyl)benzimidazol-5-yl]amino]methyl]phenol (PubChem CID 672701) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is 2-[[[1-(4-methoxyphenyl)benzimidazol-5-yl]amino]methyl]phenol.

Molecular Properties

Compound Name2-[[[1-(4-methoxyphenyl)benzimidazol-5-yl]amino]methyl]phenol
PubChem CID672701
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name2-[[[1-(4-methoxyphenyl)benzimidazol-5-yl]amino]methyl]phenol
SMILESCOc1ccc(-n2cnc3cc(NCc4ccccc4O)ccc32)cc1
InChIInChI=1S/C21H19N3O2/c1-26-18-9-7-17(8-10-18)24-14-23-19-12-16(6-11-20(19)24)22-13-15-4-2-3-5-21(15)25/h2-12,14,22,25H,13H2,1H3
InChIKeyZGHBPZSDEAOJQX-UHFFFAOYSA-N
XLogP4.35
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'anil_alk_bim(9)', 'substructure': 'N/A'}

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Related Compounds

1-(4-methoxyphenyl)-N-[(4-propan-2-ylphenyl)methyl]benzimidazol-5-amine
CID 3697969
5-Substituted 1-Phenylbenzimidazole 43
CID 5328533
N-(2-methoxybenzyl)-1-[2-(piperidin-1-yl)ethyl]-1H-benzimidazol-2-amine
CID 662454
1-(4-methoxyphenyl)-N-(4-methylbenzyl)-1H-benzimidazol-5-amine
CID 4341432
(2,3-Dimethoxy-benzyl)-(1,2-dimethyl-1H-benzoimidazol-5-yl)-amine
CID 628339
2-Methoxy-6-[[(1-methylbenzimidazol-2-yl)amino]methyl]phenol
CID 715201
[1-[(2-Methoxyphenyl)methyl]benzimidazol-2-yl]methanol
CID 755585
2-[[(1-Prop-2-enylbenzimidazol-2-yl)amino]methyl]phenol
CID 890291
1-((2-Methoxyphenyl)methyl)-2-methyl-1H-benzimidazole
CID 940002
5-[(2-Methoxyphenyl)methyl]-2-phenyl-imidazo[4,5-c]pyridine
CID 10403427
2-(((1-(2-(piperidin-1-yl)ethyl)-1H-benzo[d]imidazol-2-yl)amino)methyl)phenol
CID 1090110
N-(2,3-dimethoxybenzyl)-1-(4-methoxyphenyl)-1H-benzimidazol-5-amine
CID 1124051

Frequently Asked Questions

What is the IUPAC name of 2-[[[1-(4-methoxyphenyl)benzimidazol-5-yl]amino]methyl]phenol?
The IUPAC name of 2-[[[1-(4-methoxyphenyl)benzimidazol-5-yl]amino]methyl]phenol (CID 672701) is 2-[[[1-(4-methoxyphenyl)benzimidazol-5-yl]amino]methyl]phenol.
What is the SMILES notation for 2-[[[1-(4-methoxyphenyl)benzimidazol-5-yl]amino]methyl]phenol?
The canonical SMILES for 2-[[[1-(4-methoxyphenyl)benzimidazol-5-yl]amino]methyl]phenol is COc1ccc(-n2cnc3cc(NCc4ccccc4O)ccc32)cc1.
What is the InChIKey of 2-[[[1-(4-methoxyphenyl)benzimidazol-5-yl]amino]methyl]phenol?
The InChIKey is ZGHBPZSDEAOJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-26-18-9-7-17(8-10-18)24-14-23-19-12-16(6-11-20(19)24)22-13-15-4-2-3-5-21(15)25/h2-12,14,22,25H,13H2,1H3.
What are the key properties of 2-[[[1-(4-methoxyphenyl)benzimidazol-5-yl]amino]methyl]phenol?
2-[[[1-(4-methoxyphenyl)benzimidazol-5-yl]amino]methyl]phenol has a molecular weight of 345.40 g/mol, XLogP of 4.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[1-(4-methoxyphenyl)benzimidazol-5-yl]amino]methyl]phenol is sourced from PubChem (CID 672701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).