1-[4-(aminomethyl)phenyl]-2-(2-methylbenzimidazol-1-yl)ethanol

C17H19N3O — CID 43531451

IUPAC1-[4-(aminomethyl)phenyl]-2-(2-methylbenzimidazol-1-yl)ethanol
SMILESCc1nc2ccccc2n1CC(O)c1ccc(CN)cc1
InChIInChI=1S/C17H19N3O/c1-12-19-15-4-2-3-5-16(15)20(12)11-17(21)14-8-6-13(10-18)7-9-14/h2-9,17,21H,10-11,18H2,1H3
InChIKeyXQRNLNHMCQJOLA-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.54
Rot. Bonds4

About 1-[4-(aminomethyl)phenyl]-2-(2-methylbenzimidazol-1-yl)ethanol

1-[4-(aminomethyl)phenyl]-2-(2-methylbenzimidazol-1-yl)ethanol (PubChem CID 43531451) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-[4-(aminomethyl)phenyl]-2-(2-methylbenzimidazol-1-yl)ethanol.

Molecular Properties

Compound Name1-[4-(aminomethyl)phenyl]-2-(2-methylbenzimidazol-1-yl)ethanol
PubChem CID43531451
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name1-[4-(aminomethyl)phenyl]-2-(2-methylbenzimidazol-1-yl)ethanol
SMILESCc1nc2ccccc2n1CC(O)c1ccc(CN)cc1
InChIInChI=1S/C17H19N3O/c1-12-19-15-4-2-3-5-16(15)20(12)11-17(21)14-8-6-13(10-18)7-9-14/h2-9,17,21H,10-11,18H2,1H3
InChIKeyXQRNLNHMCQJOLA-UHFFFAOYSA-N
XLogP2.54
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-2-(2-methylbenzimidazol-1-yl)-1-phenylethanol
CID 51517940
2-(2-methylbenzimidazol-1-yl)ethane-1,1-diol
CID 134100901
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methylbenzimidazol-1-yl)ethanol
CID 47073519
1-(2-chlorophenyl)-2-(2-methylbenzimidazol-1-yl)ethanol
CID 47276894
3-(2-methylbenzimidazol-1-yl)-1-phenylpropan-1-ol
CID 3689671
2-(2-methylsulfanylbenzimidazol-1-yl)-1-phenylethanol
CID 4918049
1-(2,2-dimethoxyethyl)-2-methylbenzimidazole
CID 66222131
(2S)-4-(2-methylbenzimidazol-1-yl)butan-2-ol
CID 139248448
2-[2-(hydroxymethyl)benzimidazol-1-yl]-1-phenylethanol
CID 17479592
(2R)-1-[4-[(2R)-2-hydroxy-3-(2-methylbenzimidazol-1-yl)propoxy]phenoxy]-3-(2-methylbenzimidazol-1-yl)propan-2-ol
CID 1151095
3-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-2-methylquinazolin-4-one
CID 38778947
2-methyl-1-(2-methylbenzimidazol-1-yl)propan-2-amine
CID 82144523

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)phenyl]-2-(2-methylbenzimidazol-1-yl)ethanol?
The IUPAC name of 1-[4-(aminomethyl)phenyl]-2-(2-methylbenzimidazol-1-yl)ethanol (CID 43531451) is 1-[4-(aminomethyl)phenyl]-2-(2-methylbenzimidazol-1-yl)ethanol.
What is the SMILES notation for 1-[4-(aminomethyl)phenyl]-2-(2-methylbenzimidazol-1-yl)ethanol?
The canonical SMILES for 1-[4-(aminomethyl)phenyl]-2-(2-methylbenzimidazol-1-yl)ethanol is Cc1nc2ccccc2n1CC(O)c1ccc(CN)cc1.
What is the InChIKey of 1-[4-(aminomethyl)phenyl]-2-(2-methylbenzimidazol-1-yl)ethanol?
The InChIKey is XQRNLNHMCQJOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-12-19-15-4-2-3-5-16(15)20(12)11-17(21)14-8-6-13(10-18)7-9-14/h2-9,17,21H,10-11,18H2,1H3.
What are the key properties of 1-[4-(aminomethyl)phenyl]-2-(2-methylbenzimidazol-1-yl)ethanol?
1-[4-(aminomethyl)phenyl]-2-(2-methylbenzimidazol-1-yl)ethanol has a molecular weight of 281.36 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)phenyl]-2-(2-methylbenzimidazol-1-yl)ethanol is sourced from PubChem (CID 43531451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).