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

C16H15ClN2O — CID 139695635

IUPAC2-[1-(4-chloro-2-methylphenoxy)ethyl]-1H-benzimidazole
SMILESCc1cc(Cl)ccc1OC(C)c1nc2ccccc2[nH]1
InChIInChI=1S/C16H15ClN2O/c1-10-9-12(17)7-8-15(10)20-11(2)16-18-13-5-3-4-6-14(13)19-16/h3-9,11H,1-2H3,(H,18,19)
InChIKeyYYEZHCPJZJCLHZ-UHFFFAOYSA-N
MW286.76 g/mol
LogP4.66
Rot. Bonds3

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

2-[1-(4-chloro-2-methylphenoxy)ethyl]-1H-benzimidazole (PubChem CID 139695635) has the molecular formula C16H15ClN2O and a molecular weight of 286.76 g/mol. Its IUPAC name is 2-[1-(4-chloro-2-methylphenoxy)ethyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[1-(4-chloro-2-methylphenoxy)ethyl]-1H-benzimidazole
PubChem CID139695635
Molecular FormulaC16H15ClN2O
Molecular Weight286.76 g/mol
Exact Mass286.09
IUPAC Name2-[1-(4-chloro-2-methylphenoxy)ethyl]-1H-benzimidazole
SMILESCc1cc(Cl)ccc1OC(C)c1nc2ccccc2[nH]1
InChIInChI=1S/C16H15ClN2O/c1-10-9-12(17)7-8-15(10)20-11(2)16-18-13-5-3-4-6-14(13)19-16/h3-9,11H,1-2H3,(H,18,19)
InChIKeyYYEZHCPJZJCLHZ-UHFFFAOYSA-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

2-[1-(3-chlorophenoxy)ethyl]-1H-benzimidazole
CID 55052996
6-chloro-2-[(1S)-1-(4-methylphenoxy)ethyl]-1H-benzimidazole
CID 51612369
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-chloro-2-methylphenoxy)propanamide
CID 3413795
2-[1-(3-chlorophenoxy)ethyl]-4-methyl-1H-benzimidazole
CID 64724117
6-chloro-2-[(1R)-1-(4-propan-2-ylphenoxy)ethyl]-1H-benzimidazole
CID 51662859
2-[(1R)-1-(2-prop-2-enylphenoxy)ethyl]-1H-benzimidazole
CID 51550729
2-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]sulfanyl-N-(4-chloro-2-methylphenyl)acetamide
CID 8780199
6-chloro-2-[1-(2-methoxy-4-prop-1-enylphenoxy)ethyl]-1H-benzimidazole
CID 75157231
1-(1H-benzimidazol-2-yl)ethyl 3,4-dichlorobenzoate
CID 154833747
[(1S)-1-(1H-benzimidazol-2-yl)ethoxy]-tert-butyl-dimethylsilane
CID 71378419
2-propan-2-yl-1H-benzimidazole
CID 22121
1H-benzimidazol-2-yl-(4-chlorophenyl)methanol
CID 21125

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chloro-2-methylphenoxy)ethyl]-1H-benzimidazole?
The IUPAC name of 2-[1-(4-chloro-2-methylphenoxy)ethyl]-1H-benzimidazole (CID 139695635) is 2-[1-(4-chloro-2-methylphenoxy)ethyl]-1H-benzimidazole.
What is the SMILES notation for 2-[1-(4-chloro-2-methylphenoxy)ethyl]-1H-benzimidazole?
The canonical SMILES for 2-[1-(4-chloro-2-methylphenoxy)ethyl]-1H-benzimidazole is Cc1cc(Cl)ccc1OC(C)c1nc2ccccc2[nH]1.
What is the InChIKey of 2-[1-(4-chloro-2-methylphenoxy)ethyl]-1H-benzimidazole?
The InChIKey is YYEZHCPJZJCLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O/c1-10-9-12(17)7-8-15(10)20-11(2)16-18-13-5-3-4-6-14(13)19-16/h3-9,11H,1-2H3,(H,18,19).
What are the key properties of 2-[1-(4-chloro-2-methylphenoxy)ethyl]-1H-benzimidazole?
2-[1-(4-chloro-2-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 2-[1-(4-chloro-2-methylphenoxy)ethyl]-1H-benzimidazole is sourced from PubChem (CID 139695635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).