2-[(1S)-1-(2,6-dimethylphenoxy)ethyl]-6-methyl-1H-benzimidazole

C18H20N2O — CID 27408381

IUPAC2-[(1S)-1-(2,6-dimethylphenoxy)ethyl]-6-methyl-1H-benzimidazole
SMILESCc1ccc2nc([C@H](C)Oc3c(C)cccc3C)[nH]c2c1
InChIInChI=1S/C18H20N2O/c1-11-8-9-15-16(10-11)20-18(19-15)14(4)21-17-12(2)6-5-7-13(17)3/h5-10,14H,1-4H3,(H,19,20)/t14-/m0/s1
InChIKeyIWTCTBTUADFDEC-AWEZNQCLSA-N
MW280.37 g/mol
LogP4.63
Rot. Bonds3

About 2-[(1S)-1-(2,6-dimethylphenoxy)ethyl]-6-methyl-1H-benzimidazole

2-[(1S)-1-(2,6-dimethylphenoxy)ethyl]-6-methyl-1H-benzimidazole (PubChem CID 27408381) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[(1S)-1-(2,6-dimethylphenoxy)ethyl]-6-methyl-1H-benzimidazole.

Molecular Properties

Compound Name2-[(1S)-1-(2,6-dimethylphenoxy)ethyl]-6-methyl-1H-benzimidazole
PubChem CID27408381
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name2-[(1S)-1-(2,6-dimethylphenoxy)ethyl]-6-methyl-1H-benzimidazole
SMILESCc1ccc2nc([C@H](C)Oc3c(C)cccc3C)[nH]c2c1
InChIInChI=1S/C18H20N2O/c1-11-8-9-15-16(10-11)20-18(19-15)14(4)21-17-12(2)6-5-7-13(17)3/h5-10,14H,1-4H3,(H,19,20)/t14-/m0/s1
InChIKeyIWTCTBTUADFDEC-AWEZNQCLSA-N
XLogP4.63
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(3,4-dimethylphenoxy)ethyl]-6-methyl-1H-benzimidazole
CID 46264663
6-chloro-2-[(1S)-1-(4-methylphenoxy)ethyl]-1H-benzimidazole
CID 51612369
(1R,2R)-1,2-bis(6-methyl-1H-benzimidazol-2-yl)ethane-1,2-diol
CID 1090298
1,2-bis(6-methyl-1H-benzimidazol-2-yl)ethane-1,2-diol
CID 653921
methanol;(1S)-1-(6-methyl-1H-benzimidazol-2-yl)ethanamine
CID 143560224
2-[(2R)-1-methoxypropan-2-yl]-6-methyl-1H-benzimidazole
CID 143794586
2-[(1S)-1-(3-methylphenoxy)ethyl]-6-nitro-1H-benzimidazole
CID 96571449
1-(6-methyl-1H-benzimidazol-2-yl)ethylphosphonic acid
CID 23453418
3-methyl-1-(6-methyl-1H-benzimidazol-2-yl)butan-1-amine
CID 43379497
ethyl 3-methyl-2-(6-methyl-1H-benzimidazol-2-yl)butanoate
CID 79474874
6-methyl-2-(3-propan-2-yloxyphenyl)-1H-benzimidazole
CID 19224771
N-methyl-1-(6-methyl-1H-benzimidazol-2-yl)-1-phenylmethanamine
CID 3009971

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-(2,6-dimethylphenoxy)ethyl]-6-methyl-1H-benzimidazole?
The IUPAC name of 2-[(1S)-1-(2,6-dimethylphenoxy)ethyl]-6-methyl-1H-benzimidazole (CID 27408381) is 2-[(1S)-1-(2,6-dimethylphenoxy)ethyl]-6-methyl-1H-benzimidazole.
What is the SMILES notation for 2-[(1S)-1-(2,6-dimethylphenoxy)ethyl]-6-methyl-1H-benzimidazole?
The canonical SMILES for 2-[(1S)-1-(2,6-dimethylphenoxy)ethyl]-6-methyl-1H-benzimidazole is Cc1ccc2nc([C@H](C)Oc3c(C)cccc3C)[nH]c2c1.
What is the InChIKey of 2-[(1S)-1-(2,6-dimethylphenoxy)ethyl]-6-methyl-1H-benzimidazole?
The InChIKey is IWTCTBTUADFDEC-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H20N2O/c1-11-8-9-15-16(10-11)20-18(19-15)14(4)21-17-12(2)6-5-7-13(17)3/h5-10,14H,1-4H3,(H,19,20)/t14-/m0/s1.
What are the key properties of 2-[(1S)-1-(2,6-dimethylphenoxy)ethyl]-6-methyl-1H-benzimidazole?
2-[(1S)-1-(2,6-dimethylphenoxy)ethyl]-6-methyl-1H-benzimidazole has a molecular weight of 280.37 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-(2,6-dimethylphenoxy)ethyl]-6-methyl-1H-benzimidazole is sourced from PubChem (CID 27408381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).