2-[2-methoxy-5-[[(1-phenylbenzimidazol-5-yl)amino]methyl]phenoxy]ethanol

C23H23N3O3 — CID 166631175

IUPAC2-[2-methoxy-5-[[(1-phenylbenzimidazol-5-yl)amino]methyl]phenoxy]ethanol
SMILESCOc1ccc(CNc2ccc3c(c2)ncn3-c2ccccc2)cc1OCCO
InChIInChI=1S/C23H23N3O3/c1-28-22-10-7-17(13-23(22)29-12-11-27)15-24-18-8-9-21-20(14-18)25-16-26(21)19-5-3-2-4-6-19/h2-10,13-14,16,24,27H,11-12,15H2,1H3
InChIKeyBQTWOGYGIAVUSI-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.02
Rot. Bonds8

About 2-[2-methoxy-5-[[(1-phenylbenzimidazol-5-yl)amino]methyl]phenoxy]ethanol

2-[2-methoxy-5-[[(1-phenylbenzimidazol-5-yl)amino]methyl]phenoxy]ethanol (PubChem CID 166631175) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 2-[2-methoxy-5-[[(1-phenylbenzimidazol-5-yl)amino]methyl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[2-methoxy-5-[[(1-phenylbenzimidazol-5-yl)amino]methyl]phenoxy]ethanol
PubChem CID166631175
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name2-[2-methoxy-5-[[(1-phenylbenzimidazol-5-yl)amino]methyl]phenoxy]ethanol
SMILESCOc1ccc(CNc2ccc3c(c2)ncn3-c2ccccc2)cc1OCCO
InChIInChI=1S/C23H23N3O3/c1-28-22-10-7-17(13-23(22)29-12-11-27)15-24-18-8-9-21-20(14-18)25-16-26(21)19-5-3-2-4-6-19/h2-10,13-14,16,24,27H,11-12,15H2,1H3
InChIKeyBQTWOGYGIAVUSI-UHFFFAOYSA-N
XLogP4.02
TPSA68.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]-1-phenylbenzimidazol-5-amine
CID 3562537
N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)benzimidazol-5-amine
CID 2881374
1-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]benzimidazol-5-amine
CID 59372972
1-(4-methoxyphenyl)-N-[(4-propan-2-ylphenyl)methyl]benzimidazol-5-amine;hydrochloride
CID 127020969
1-(4-methoxyphenyl)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]benzimidazol-5-amine
CID 66794145
2-[[5-[(3-methoxy-4-methylphenyl)methylamino]-2-pyridinyl]oxy]ethanol
CID 99841271
2-[5-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-methoxyphenoxy]ethanol
CID 79568798
1-(4-ethylphenyl)-N-[(4-propan-2-ylphenyl)methyl]benzimidazol-5-amine
CID 66793952
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-4-(benzimidazol-1-yl)benzamide
CID 55866271
2-[[5-[(3-fluoro-4-methoxyphenyl)methylamino]-2-pyridinyl]oxy]ethanol
CID 109379922
1-(4-tert-butylphenyl)-N-[(4-propan-2-ylphenyl)methyl]benzimidazol-5-amine
CID 66794060
2-[4-[(4-methoxy-3-propoxyphenyl)methylamino]pyrazol-1-yl]ethanol
CID 110928951

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-5-[[(1-phenylbenzimidazol-5-yl)amino]methyl]phenoxy]ethanol?
The IUPAC name of 2-[2-methoxy-5-[[(1-phenylbenzimidazol-5-yl)amino]methyl]phenoxy]ethanol (CID 166631175) is 2-[2-methoxy-5-[[(1-phenylbenzimidazol-5-yl)amino]methyl]phenoxy]ethanol.
What is the SMILES notation for 2-[2-methoxy-5-[[(1-phenylbenzimidazol-5-yl)amino]methyl]phenoxy]ethanol?
The canonical SMILES for 2-[2-methoxy-5-[[(1-phenylbenzimidazol-5-yl)amino]methyl]phenoxy]ethanol is COc1ccc(CNc2ccc3c(c2)ncn3-c2ccccc2)cc1OCCO.
What is the InChIKey of 2-[2-methoxy-5-[[(1-phenylbenzimidazol-5-yl)amino]methyl]phenoxy]ethanol?
The InChIKey is BQTWOGYGIAVUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-28-22-10-7-17(13-23(22)29-12-11-27)15-24-18-8-9-21-20(14-18)25-16-26(21)19-5-3-2-4-6-19/h2-10,13-14,16,24,27H,11-12,15H2,1H3.
What are the key properties of 2-[2-methoxy-5-[[(1-phenylbenzimidazol-5-yl)amino]methyl]phenoxy]ethanol?
2-[2-methoxy-5-[[(1-phenylbenzimidazol-5-yl)amino]methyl]phenoxy]ethanol has a molecular weight of 389.46 g/mol, XLogP of 4.02, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-5-[[(1-phenylbenzimidazol-5-yl)amino]methyl]phenoxy]ethanol is sourced from PubChem (CID 166631175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).