2-[1-(3-chlorophenoxy)ethyl]-1H-benzimidazole

C15H13ClN2O — CID 55052996

IUPAC2-[1-(3-chlorophenoxy)ethyl]-1H-benzimidazole
SMILESCC(Oc1cccc(Cl)c1)c1nc2ccccc2[nH]1
InChIInChI=1S/C15H13ClN2O/c1-10(19-12-6-4-5-11(16)9-12)15-17-13-7-2-3-8-14(13)18-15/h2-10H,1H3,(H,17,18)
InChIKeyBBORXCASUPJKKC-UHFFFAOYSA-N
MW272.74 g/mol
LogP4.36
Rot. Bonds3

About 2-[1-(3-chlorophenoxy)ethyl]-1H-benzimidazole

2-[1-(3-chlorophenoxy)ethyl]-1H-benzimidazole (PubChem CID 55052996) has the molecular formula C15H13ClN2O and a molecular weight of 272.74 g/mol. Its IUPAC name is 2-[1-(3-chlorophenoxy)ethyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[1-(3-chlorophenoxy)ethyl]-1H-benzimidazole
PubChem CID55052996
Molecular FormulaC15H13ClN2O
Molecular Weight272.74 g/mol
Exact Mass272.07
IUPAC Name2-[1-(3-chlorophenoxy)ethyl]-1H-benzimidazole
SMILESCC(Oc1cccc(Cl)c1)c1nc2ccccc2[nH]1
InChIInChI=1S/C15H13ClN2O/c1-10(19-12-6-4-5-11(16)9-12)15-17-13-7-2-3-8-14(13)18-15/h2-10H,1H3,(H,17,18)
InChIKeyBBORXCASUPJKKC-UHFFFAOYSA-N
XLogP4.36
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(3-chlorophenoxy)ethyl]-4-methyl-1H-benzimidazole
CID 64724117
2-[1-(4-chloro-2-methylphenoxy)ethyl]-1H-benzimidazole
CID 139695635
4-[1-(1H-benzimidazol-2-yl)ethoxy]benzoic acid
CID 69478417
6-chloro-2-[(1R)-1-(4-propan-2-ylphenoxy)ethyl]-1H-benzimidazole
CID 51662859
6-chloro-2-[(1S)-1-(4-methylphenoxy)ethyl]-1H-benzimidazole
CID 51612369
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
4-methyl-2-[(1R)-1-phenoxyethyl]-1H-benzimidazole
CID 27408412
2-[(1S)-1-(3-methylphenoxy)ethyl]-6-nitro-1H-benzimidazole
CID 96571449
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(3,4-dichlorophenoxy)propanamide
CID 60509750
(1S)-1-(1H-benzimidazol-2-yl)ethanol
CID 139074850

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chlorophenoxy)ethyl]-1H-benzimidazole?
The IUPAC name of 2-[1-(3-chlorophenoxy)ethyl]-1H-benzimidazole (CID 55052996) is 2-[1-(3-chlorophenoxy)ethyl]-1H-benzimidazole.
What is the SMILES notation for 2-[1-(3-chlorophenoxy)ethyl]-1H-benzimidazole?
The canonical SMILES for 2-[1-(3-chlorophenoxy)ethyl]-1H-benzimidazole is CC(Oc1cccc(Cl)c1)c1nc2ccccc2[nH]1.
What is the InChIKey of 2-[1-(3-chlorophenoxy)ethyl]-1H-benzimidazole?
The InChIKey is BBORXCASUPJKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O/c1-10(19-12-6-4-5-11(16)9-12)15-17-13-7-2-3-8-14(13)18-15/h2-10H,1H3,(H,17,18).
What are the key properties of 2-[1-(3-chlorophenoxy)ethyl]-1H-benzimidazole?
2-[1-(3-chlorophenoxy)ethyl]-1H-benzimidazole has a molecular weight of 272.74 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chlorophenoxy)ethyl]-1H-benzimidazole is sourced from PubChem (CID 55052996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).