6-chloro-2-[1-(2-methoxy-4-prop-1-enylphenoxy)ethyl]-1H-benzimidazole

C19H19ClN2O2 — CID 75157231

IUPAC6-chloro-2-[1-(2-methoxy-4-prop-1-enylphenoxy)ethyl]-1H-benzimidazole
SMILESCC=Cc1ccc(OC(C)c2nc3ccc(Cl)cc3[nH]2)c(OC)c1
InChIInChI=1S/C19H19ClN2O2/c1-4-5-13-6-9-17(18(10-13)23-3)24-12(2)19-21-15-8-7-14(20)11-16(15)22-19/h4-12H,1-3H3,(H,21,22)
InChIKeyVHKIPRXSXCHCQZ-UHFFFAOYSA-N
MW342.83 g/mol
LogP5.40
Rot. Bonds5

About 6-chloro-2-[1-(2-methoxy-4-prop-1-enylphenoxy)ethyl]-1H-benzimidazole

6-chloro-2-[1-(2-methoxy-4-prop-1-enylphenoxy)ethyl]-1H-benzimidazole (PubChem CID 75157231) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is 6-chloro-2-[1-(2-methoxy-4-prop-1-enylphenoxy)ethyl]-1H-benzimidazole.

Molecular Properties

Compound Name6-chloro-2-[1-(2-methoxy-4-prop-1-enylphenoxy)ethyl]-1H-benzimidazole
PubChem CID75157231
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC Name6-chloro-2-[1-(2-methoxy-4-prop-1-enylphenoxy)ethyl]-1H-benzimidazole
SMILESCC=Cc1ccc(OC(C)c2nc3ccc(Cl)cc3[nH]2)c(OC)c1
InChIInChI=1S/C19H19ClN2O2/c1-4-5-13-6-9-17(18(10-13)23-3)24-12(2)19-21-15-8-7-14(20)11-16(15)22-19/h4-12H,1-3H3,(H,21,22)
InChIKeyVHKIPRXSXCHCQZ-UHFFFAOYSA-N
XLogP5.40
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.83
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
2-[1-(4-chloro-2-methylphenoxy)ethyl]-1H-benzimidazole
CID 139695635
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide
CID 60620296
6-fluoro-2-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]methyl]-1H-benzimidazole
CID 46264639
2-(1-bromoethyl)-6-chloro-1H-benzimidazole
CID 82020457
2-(2-methoxy-4-prop-1-enylphenoxy)butan-1-amine
CID 76976965
(1S)-1-(6-chloro-1H-benzimidazol-2-yl)ethanamine;dihydrochloride
CID 66734805
[2,6-dimethoxy-4-[1-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]ethyl]phenyl] acetate
CID 21160693
1,2-dimethoxy-4-penta-1,3-dienylbenzene
CID 141114401
2-[1-(3-chlorophenoxy)ethyl]-1H-benzimidazole
CID 55052996
6-chloro-2-(2,5-dimethoxyphenyl)-1H-benzimidazole
CID 60646512

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[1-(2-methoxy-4-prop-1-enylphenoxy)ethyl]-1H-benzimidazole?
The IUPAC name of 6-chloro-2-[1-(2-methoxy-4-prop-1-enylphenoxy)ethyl]-1H-benzimidazole (CID 75157231) is 6-chloro-2-[1-(2-methoxy-4-prop-1-enylphenoxy)ethyl]-1H-benzimidazole.
What is the SMILES notation for 6-chloro-2-[1-(2-methoxy-4-prop-1-enylphenoxy)ethyl]-1H-benzimidazole?
The canonical SMILES for 6-chloro-2-[1-(2-methoxy-4-prop-1-enylphenoxy)ethyl]-1H-benzimidazole is CC=Cc1ccc(OC(C)c2nc3ccc(Cl)cc3[nH]2)c(OC)c1.
What is the InChIKey of 6-chloro-2-[1-(2-methoxy-4-prop-1-enylphenoxy)ethyl]-1H-benzimidazole?
The InChIKey is VHKIPRXSXCHCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c1-4-5-13-6-9-17(18(10-13)23-3)24-12(2)19-21-15-8-7-14(20)11-16(15)22-19/h4-12H,1-3H3,(H,21,22).
What are the key properties of 6-chloro-2-[1-(2-methoxy-4-prop-1-enylphenoxy)ethyl]-1H-benzimidazole?
6-chloro-2-[1-(2-methoxy-4-prop-1-enylphenoxy)ethyl]-1H-benzimidazole has a molecular weight of 342.83 g/mol, XLogP of 5.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[1-(2-methoxy-4-prop-1-enylphenoxy)ethyl]-1H-benzimidazole is sourced from PubChem (CID 75157231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).