2-[2-[(4-aminophenyl)methyl]-5-methoxybenzimidazol-1-yl]ethanol

C17H19N3O2 — CID 82334385

IUPAC2-[2-[(4-aminophenyl)methyl]-5-methoxybenzimidazol-1-yl]ethanol
SMILESCOc1ccc2c(c1)nc(Cc1ccc(N)cc1)n2CCO
InChIInChI=1S/C17H19N3O2/c1-22-14-6-7-16-15(11-14)19-17(20(16)8-9-21)10-12-2-4-13(18)5-3-12/h2-7,11,21H,8-10,18H2,1H3
InChIKeyFLJGOBGDSITCBI-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.21
Rot. Bonds5

About 2-[2-[(4-aminophenyl)methyl]-5-methoxybenzimidazol-1-yl]ethanol

2-[2-[(4-aminophenyl)methyl]-5-methoxybenzimidazol-1-yl]ethanol (PubChem CID 82334385) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-[2-[(4-aminophenyl)methyl]-5-methoxybenzimidazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[2-[(4-aminophenyl)methyl]-5-methoxybenzimidazol-1-yl]ethanol
PubChem CID82334385
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name2-[2-[(4-aminophenyl)methyl]-5-methoxybenzimidazol-1-yl]ethanol
SMILESCOc1ccc2c(c1)nc(Cc1ccc(N)cc1)n2CCO
InChIInChI=1S/C17H19N3O2/c1-22-14-6-7-16-15(11-14)19-17(20(16)8-9-21)10-12-2-4-13(18)5-3-12/h2-7,11,21H,8-10,18H2,1H3
InChIKeyFLJGOBGDSITCBI-UHFFFAOYSA-N
XLogP2.21
TPSA73.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(4-methoxyphenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]ethanol
CID 94755704
2-[2-[[2-hydroxyethyl(methyl)amino]methyl]-5-methoxybenzimidazol-1-yl]ethanol
CID 82311690
6-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]hexan-1-ol
CID 177375660
4-[(5-methyl-1-propylbenzimidazol-2-yl)methyl]aniline
CID 60784514
4-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]aniline
CID 60785014
2-[2-(2-aminoethyl)-5-propoxybenzimidazol-1-yl]ethanol
CID 82335008
(1-butyl-5-methoxybenzimidazol-2-yl)methanamine
CID 82334322
2-[[1-(3-aminopropyl)-5-methoxybenzimidazol-2-yl]methyl-methylamino]ethanol
CID 82310791
(1-ethyl-5-methoxybenzimidazol-2-yl)methanamine
CID 80503172
3-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]propanenitrile
CID 82144754
2-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]ethanethioamide
CID 39151397
2-[2-benzyl-5-(trifluoromethyl)benzimidazol-1-yl]ethanol
CID 46308123

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-aminophenyl)methyl]-5-methoxybenzimidazol-1-yl]ethanol?
The IUPAC name of 2-[2-[(4-aminophenyl)methyl]-5-methoxybenzimidazol-1-yl]ethanol (CID 82334385) is 2-[2-[(4-aminophenyl)methyl]-5-methoxybenzimidazol-1-yl]ethanol.
What is the SMILES notation for 2-[2-[(4-aminophenyl)methyl]-5-methoxybenzimidazol-1-yl]ethanol?
The canonical SMILES for 2-[2-[(4-aminophenyl)methyl]-5-methoxybenzimidazol-1-yl]ethanol is COc1ccc2c(c1)nc(Cc1ccc(N)cc1)n2CCO.
What is the InChIKey of 2-[2-[(4-aminophenyl)methyl]-5-methoxybenzimidazol-1-yl]ethanol?
The InChIKey is FLJGOBGDSITCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-22-14-6-7-16-15(11-14)19-17(20(16)8-9-21)10-12-2-4-13(18)5-3-12/h2-7,11,21H,8-10,18H2,1H3.
What are the key properties of 2-[2-[(4-aminophenyl)methyl]-5-methoxybenzimidazol-1-yl]ethanol?
2-[2-[(4-aminophenyl)methyl]-5-methoxybenzimidazol-1-yl]ethanol has a molecular weight of 297.36 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-aminophenyl)methyl]-5-methoxybenzimidazol-1-yl]ethanol is sourced from PubChem (CID 82334385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).