(1R)-1-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethanol

C17H18N2O2 — CID 755584

IUPAC(1R)-1-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethanol
SMILESCOc1ccccc1Cn1c([C@@H](C)O)nc2ccccc21
InChIInChI=1S/C17H18N2O2/c1-12(20)17-18-14-8-4-5-9-15(14)19(17)11-13-7-3-6-10-16(13)21-2/h3-10,12,20H,11H2,1-2H3/t12-/m1/s1
InChIKeyPDQDDMBMDUHXCX-GFCCVEGCSA-N
MW282.34 g/mol
LogP3.15
Rot. Bonds4

About (1R)-1-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethanol

(1R)-1-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethanol (PubChem CID 755584) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is (1R)-1-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethanol
PubChem CID755584
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name(1R)-1-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethanol
SMILESCOc1ccccc1Cn1c([C@@H](C)O)nc2ccccc21
InChIInChI=1S/C17H18N2O2/c1-12(20)17-18-14-8-4-5-9-15(14)19(17)11-13-7-3-6-10-16(13)21-2/h3-10,12,20H,11H2,1-2H3/t12-/m1/s1
InChIKeyPDQDDMBMDUHXCX-GFCCVEGCSA-N
XLogP3.15
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[(3,4-dimethoxyphenyl)methyl]benzimidazol-2-yl]ethanol
CID 3835157
N-[1-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]butanamide
CID 16968736
N-[1-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]prop-2-enamide
CID 16969979
1-[(2-methoxyphenyl)methyl]-2-methylbenzimidazole
CID 940002
1-[(2-methoxyphenyl)methyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
CID 3269315
(1S)-1-(1-benzylbenzimidazol-2-yl)ethanol
CID 764782
(1S)-1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethanol
CID 950441
1-[1-[2-[2-[2-(1-hydroxyethyl)benzimidazol-1-yl]ethoxy]ethyl]benzimidazol-2-yl]ethanol
CID 58049613
N-[(2-methoxyphenyl)methyl]-1-(1-methylbenzimidazol-2-yl)ethanamine
CID 43823447
N-[5-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]pentyl]-2-methylpropanamide
CID 16988661
N-[[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]propanamide
CID 17006062
1-[1-[2-[2-[2-[2-(1-hydroxyethyl)benzimidazol-1-yl]ethoxy]ethoxy]ethyl]benzimidazol-2-yl]ethanol
CID 66663003

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethanol?
The IUPAC name of (1R)-1-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethanol (CID 755584) is (1R)-1-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethanol.
What is the SMILES notation for (1R)-1-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethanol?
The canonical SMILES for (1R)-1-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethanol is COc1ccccc1Cn1c([C@@H](C)O)nc2ccccc21.
What is the InChIKey of (1R)-1-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethanol?
The InChIKey is PDQDDMBMDUHXCX-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-12(20)17-18-14-8-4-5-9-15(14)19(17)11-13-7-3-6-10-16(13)21-2/h3-10,12,20H,11H2,1-2H3/t12-/m1/s1.
What are the key properties of (1R)-1-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethanol?
(1R)-1-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethanol has a molecular weight of 282.34 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethanol is sourced from PubChem (CID 755584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).