6-chloro-2-[(1R)-1-(4-propan-2-ylphenoxy)ethyl]-1H-benzimidazole

C18H19ClN2O — CID 51662859

IUPAC6-chloro-2-[(1R)-1-(4-propan-2-ylphenoxy)ethyl]-1H-benzimidazole
SMILESCC(C)c1ccc(O[C@H](C)c2nc3ccc(Cl)cc3[nH]2)cc1
InChIInChI=1S/C18H19ClN2O/c1-11(2)13-4-7-15(8-5-13)22-12(3)18-20-16-9-6-14(19)10-17(16)21-18/h4-12H,1-3H3,(H,20,21)/t12-/m1/s1
InChIKeyDSKROZGFDUHJSW-GFCCVEGCSA-N
MW314.82 g/mol
LogP5.48
Rot. Bonds4

About 6-chloro-2-[(1R)-1-(4-propan-2-ylphenoxy)ethyl]-1H-benzimidazole

6-chloro-2-[(1R)-1-(4-propan-2-ylphenoxy)ethyl]-1H-benzimidazole (PubChem CID 51662859) has the molecular formula C18H19ClN2O and a molecular weight of 314.82 g/mol. Its IUPAC name is 6-chloro-2-[(1R)-1-(4-propan-2-ylphenoxy)ethyl]-1H-benzimidazole.

Molecular Properties

Compound Name6-chloro-2-[(1R)-1-(4-propan-2-ylphenoxy)ethyl]-1H-benzimidazole
PubChem CID51662859
Molecular FormulaC18H19ClN2O
Molecular Weight314.82 g/mol
Exact Mass314.12
IUPAC Name6-chloro-2-[(1R)-1-(4-propan-2-ylphenoxy)ethyl]-1H-benzimidazole
SMILESCC(C)c1ccc(O[C@H](C)c2nc3ccc(Cl)cc3[nH]2)cc1
InChIInChI=1S/C18H19ClN2O/c1-11(2)13-4-7-15(8-5-13)22-12(3)18-20-16-9-6-14(19)10-17(16)21-18/h4-12H,1-3H3,(H,20,21)/t12-/m1/s1
InChIKeyDSKROZGFDUHJSW-GFCCVEGCSA-N
XLogP5.48
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.82
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-2-[(1S)-1-(4-methylphenoxy)ethyl]-1H-benzimidazole
CID 51612369
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-[1-(3,4-dimethylphenoxy)ethyl]-6-methyl-1H-benzimidazole
CID 46264663
6-chloro-2-[1-(2-methoxy-4-prop-1-enylphenoxy)ethyl]-1H-benzimidazole
CID 75157231
CID 162266881
CID 162266881
2-[1-(4-chloro-2-methylphenoxy)ethyl]-1H-benzimidazole
CID 139695635
6-chloro-N-[1-(4-methoxyphenyl)ethyl]-1H-benzimidazol-2-amine
CID 82562713
3-[4-[1-(6-methoxy-1H-benzimidazol-2-yl)ethoxy]phenyl]-2-methylpropanethioic S-acid
CID 18184920
2-[1-(4-ethylphenoxy)ethyl]-5,6-dimethyl-1H-benzimidazole
CID 46264658
2-(6-chloro-1H-benzimidazol-2-yl)butan-1-amine
CID 65221447

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[(1R)-1-(4-propan-2-ylphenoxy)ethyl]-1H-benzimidazole?
The IUPAC name of 6-chloro-2-[(1R)-1-(4-propan-2-ylphenoxy)ethyl]-1H-benzimidazole (CID 51662859) is 6-chloro-2-[(1R)-1-(4-propan-2-ylphenoxy)ethyl]-1H-benzimidazole.
What is the SMILES notation for 6-chloro-2-[(1R)-1-(4-propan-2-ylphenoxy)ethyl]-1H-benzimidazole?
The canonical SMILES for 6-chloro-2-[(1R)-1-(4-propan-2-ylphenoxy)ethyl]-1H-benzimidazole is CC(C)c1ccc(O[C@H](C)c2nc3ccc(Cl)cc3[nH]2)cc1.
What is the InChIKey of 6-chloro-2-[(1R)-1-(4-propan-2-ylphenoxy)ethyl]-1H-benzimidazole?
The InChIKey is DSKROZGFDUHJSW-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H19ClN2O/c1-11(2)13-4-7-15(8-5-13)22-12(3)18-20-16-9-6-14(19)10-17(16)21-18/h4-12H,1-3H3,(H,20,21)/t12-/m1/s1.
What are the key properties of 6-chloro-2-[(1R)-1-(4-propan-2-ylphenoxy)ethyl]-1H-benzimidazole?
6-chloro-2-[(1R)-1-(4-propan-2-ylphenoxy)ethyl]-1H-benzimidazole has a molecular weight of 314.82 g/mol, XLogP of 5.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[(1R)-1-(4-propan-2-ylphenoxy)ethyl]-1H-benzimidazole is sourced from PubChem (CID 51662859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).