2-(methoxymethyl)-1-[(1R)-1-phenylethyl]benzimidazole

C17H18N2O — CID 975484

IUPAC2-(methoxymethyl)-1-[(1R)-1-phenylethyl]benzimidazole
SMILESCOCc1nc2ccccc2n1[C@H](C)c1ccccc1
InChIInChI=1S/C17H18N2O/c1-13(14-8-4-3-5-9-14)19-16-11-7-6-10-15(16)18-17(19)12-20-2/h3-11,13H,12H2,1-2H3/t13-/m1/s1
InChIKeyRSWSCPMNWHZIAX-CYBMUJFWSA-N
MW266.34 g/mol
LogP3.79
Rot. Bonds4

About 2-(methoxymethyl)-1-[(1R)-1-phenylethyl]benzimidazole

2-(methoxymethyl)-1-[(1R)-1-phenylethyl]benzimidazole (PubChem CID 975484) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-(methoxymethyl)-1-[(1R)-1-phenylethyl]benzimidazole.

Molecular Properties

Compound Name2-(methoxymethyl)-1-[(1R)-1-phenylethyl]benzimidazole
PubChem CID975484
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name2-(methoxymethyl)-1-[(1R)-1-phenylethyl]benzimidazole
SMILESCOCc1nc2ccccc2n1[C@H](C)c1ccccc1
InChIInChI=1S/C17H18N2O/c1-13(14-8-4-3-5-9-14)19-16-11-7-6-10-15(16)18-17(19)12-20-2/h3-11,13H,12H2,1-2H3/t13-/m1/s1
InChIKeyRSWSCPMNWHZIAX-CYBMUJFWSA-N
XLogP3.79
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-methoxyphenoxy)methyl]-1-(1-phenylethyl)benzimidazole
CID 5088785
2-ethyl-1-[(1R)-1-phenylethyl]benzimidazole
CID 962439
2-(2-chloroethyl)-1-(1-phenylethyl)benzimidazole
CID 43666303
2-[(2,5-dimethylphenoxy)methyl]-1-(1-phenylethyl)benzimidazole
CID 18878152
N-[[1-[(1S)-1-phenylethyl]benzimidazol-2-yl]methyl]formamide
CID 7366362
1-(1-phenylethyl)-2-propan-2-ylbenzimidazole
CID 3623918
2-[(4-chlorophenyl)sulfanylmethyl]-1-(1-phenylethyl)benzimidazole
CID 18878245
2-(4-methoxyphenyl)-1-[(1S)-1-phenylethyl]benzimidazole
CID 881414
N-[[1-(1-phenylethyl)benzimidazol-2-yl]methyl]prop-2-enamide
CID 16972212
2-(2-chloroethyl)-1-(1-pyridin-4-ylethyl)benzimidazole
CID 43667584
[5-methoxy-1-(1-phenylethyl)benzimidazol-2-yl]methanamine
CID 82334325
2-(4-methylphenyl)-1-(1-phenylethyl)benzimidazole
CID 18878803

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-1-[(1R)-1-phenylethyl]benzimidazole?
The IUPAC name of 2-(methoxymethyl)-1-[(1R)-1-phenylethyl]benzimidazole (CID 975484) is 2-(methoxymethyl)-1-[(1R)-1-phenylethyl]benzimidazole.
What is the SMILES notation for 2-(methoxymethyl)-1-[(1R)-1-phenylethyl]benzimidazole?
The canonical SMILES for 2-(methoxymethyl)-1-[(1R)-1-phenylethyl]benzimidazole is COCc1nc2ccccc2n1[C@H](C)c1ccccc1.
What is the InChIKey of 2-(methoxymethyl)-1-[(1R)-1-phenylethyl]benzimidazole?
The InChIKey is RSWSCPMNWHZIAX-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H18N2O/c1-13(14-8-4-3-5-9-14)19-16-11-7-6-10-15(16)18-17(19)12-20-2/h3-11,13H,12H2,1-2H3/t13-/m1/s1.
What are the key properties of 2-(methoxymethyl)-1-[(1R)-1-phenylethyl]benzimidazole?
2-(methoxymethyl)-1-[(1R)-1-phenylethyl]benzimidazole has a molecular weight of 266.34 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-1-[(1R)-1-phenylethyl]benzimidazole is sourced from PubChem (CID 975484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).