6-chloro-2-[(1S)-1-(4-methylphenoxy)ethyl]-1H-benzimidazole

C16H15ClN2O — CID 51612369

IUPAC6-chloro-2-[(1S)-1-(4-methylphenoxy)ethyl]-1H-benzimidazole
SMILESCc1ccc(O[C@@H](C)c2nc3ccc(Cl)cc3[nH]2)cc1
InChIInChI=1S/C16H15ClN2O/c1-10-3-6-13(7-4-10)20-11(2)16-18-14-8-5-12(17)9-15(14)19-16/h3-9,11H,1-2H3,(H,18,19)/t11-/m0/s1
InChIKeyOBBBNRKQHADNNB-NSHDSACASA-N
MW286.76 g/mol
LogP4.66
Rot. Bonds3

About 6-chloro-2-[(1S)-1-(4-methylphenoxy)ethyl]-1H-benzimidazole

6-chloro-2-[(1S)-1-(4-methylphenoxy)ethyl]-1H-benzimidazole (PubChem CID 51612369) has the molecular formula C16H15ClN2O and a molecular weight of 286.76 g/mol. Its IUPAC name is 6-chloro-2-[(1S)-1-(4-methylphenoxy)ethyl]-1H-benzimidazole.

Molecular Properties

Compound Name6-chloro-2-[(1S)-1-(4-methylphenoxy)ethyl]-1H-benzimidazole
PubChem CID51612369
Molecular FormulaC16H15ClN2O
Molecular Weight286.76 g/mol
Exact Mass286.09
IUPAC Name6-chloro-2-[(1S)-1-(4-methylphenoxy)ethyl]-1H-benzimidazole
SMILESCc1ccc(O[C@@H](C)c2nc3ccc(Cl)cc3[nH]2)cc1
InChIInChI=1S/C16H15ClN2O/c1-10-3-6-13(7-4-10)20-11(2)16-18-14-8-5-12(17)9-15(14)19-16/h3-9,11H,1-2H3,(H,18,19)/t11-/m0/s1
InChIKeyOBBBNRKQHADNNB-NSHDSACASA-N
XLogP4.66
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-2-[(1R)-1-(4-propan-2-ylphenoxy)ethyl]-1H-benzimidazole
CID 51662859
2-[1-(3,4-dimethylphenoxy)ethyl]-6-methyl-1H-benzimidazole
CID 46264663
2-(1-bromoethyl)-6-chloro-1H-benzimidazole
CID 82020457
2-[1-(3-chlorophenoxy)ethyl]-1H-benzimidazole
CID 55052996
(1S)-1-(6-chloro-1H-benzimidazol-2-yl)ethanamine;dihydrochloride
CID 66734805
2-[(1S)-1-(2,6-dimethylphenoxy)ethyl]-6-methyl-1H-benzimidazole
CID 27408381
6-(difluoromethoxy)-2-[1-(4-methylphenyl)ethyl]-1H-benzimidazole
CID 89433833
2-[1-(4-chloro-2-methylphenoxy)ethyl]-1H-benzimidazole
CID 139695635
6-chloro-2-[1-(2-methoxy-4-prop-1-enylphenoxy)ethyl]-1H-benzimidazole
CID 75157231
2-[1-(4-ethylphenoxy)ethyl]-5,6-dimethyl-1H-benzimidazole
CID 46264658
2-[(1S)-1-(3-methylphenoxy)ethyl]-6-nitro-1H-benzimidazole
CID 96571449
2-(6-chloro-1H-benzimidazol-2-yl)butan-1-amine
CID 65221447

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[(1S)-1-(4-methylphenoxy)ethyl]-1H-benzimidazole?
The IUPAC name of 6-chloro-2-[(1S)-1-(4-methylphenoxy)ethyl]-1H-benzimidazole (CID 51612369) is 6-chloro-2-[(1S)-1-(4-methylphenoxy)ethyl]-1H-benzimidazole.
What is the SMILES notation for 6-chloro-2-[(1S)-1-(4-methylphenoxy)ethyl]-1H-benzimidazole?
The canonical SMILES for 6-chloro-2-[(1S)-1-(4-methylphenoxy)ethyl]-1H-benzimidazole is Cc1ccc(O[C@@H](C)c2nc3ccc(Cl)cc3[nH]2)cc1.
What is the InChIKey of 6-chloro-2-[(1S)-1-(4-methylphenoxy)ethyl]-1H-benzimidazole?
The InChIKey is OBBBNRKQHADNNB-NSHDSACASA-N. The full InChI is InChI=1S/C16H15ClN2O/c1-10-3-6-13(7-4-10)20-11(2)16-18-14-8-5-12(17)9-15(14)19-16/h3-9,11H,1-2H3,(H,18,19)/t11-/m0/s1.
What are the key properties of 6-chloro-2-[(1S)-1-(4-methylphenoxy)ethyl]-1H-benzimidazole?
6-chloro-2-[(1S)-1-(4-methylphenoxy)ethyl]-1H-benzimidazole has a molecular weight of 286.76 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[(1S)-1-(4-methylphenoxy)ethyl]-1H-benzimidazole is sourced from PubChem (CID 51612369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).