1-[2-(3-chloro-4-prop-2-ynoxyphenyl)ethoxy]-2-methylbenzimidazole

C19H17ClN2O2 — CID 134102988

IUPAC1-[2-(3-chloro-4-prop-2-ynoxyphenyl)ethoxy]-2-methylbenzimidazole
SMILESC#CCOc1ccc(CCOn2c(C)nc3ccccc32)cc1Cl
InChIInChI=1S/C19H17ClN2O2/c1-3-11-23-19-9-8-15(13-16(19)20)10-12-24-22-14(2)21-17-6-4-5-7-18(17)22/h1,4-9,13H,10-12H2,2H3
InChIKeyJHPVSUAAONUBAC-UHFFFAOYSA-N
MW340.81 g/mol
LogP3.68
Rot. Bonds6

About 1-[2-(3-chloro-4-prop-2-ynoxyphenyl)ethoxy]-2-methylbenzimidazole

1-[2-(3-chloro-4-prop-2-ynoxyphenyl)ethoxy]-2-methylbenzimidazole (PubChem CID 134102988) has the molecular formula C19H17ClN2O2 and a molecular weight of 340.81 g/mol. Its IUPAC name is 1-[2-(3-chloro-4-prop-2-ynoxyphenyl)ethoxy]-2-methylbenzimidazole.

Molecular Properties

Compound Name1-[2-(3-chloro-4-prop-2-ynoxyphenyl)ethoxy]-2-methylbenzimidazole
PubChem CID134102988
Molecular FormulaC19H17ClN2O2
Molecular Weight340.81 g/mol
Exact Mass340.10
IUPAC Name1-[2-(3-chloro-4-prop-2-ynoxyphenyl)ethoxy]-2-methylbenzimidazole
SMILESC#CCOc1ccc(CCOn2c(C)nc3ccccc32)cc1Cl
InChIInChI=1S/C19H17ClN2O2/c1-3-11-23-19-9-8-15(13-16(19)20)10-12-24-22-14(2)21-17-6-4-5-7-18(17)22/h1,4-9,13H,10-12H2,2H3
InChIKeyJHPVSUAAONUBAC-UHFFFAOYSA-N
XLogP3.68
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-[2-(4-butoxy-3-chlorophenyl)ethoxy]-2,4,6-trimethylbenzimidazole
CID 134103027
1-[2-(4-butoxy-3-chlorophenyl)ethoxy]-2-methylbenzimidazole-4-carbonitrile
CID 134116012
3-(3-chloro-4-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)propan-1-amine
CID 83976138
2-(2-chlorophenyl)-1-[(4-chlorophenyl)methoxy]benzimidazole
CID 3779300
1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-[(2,4-dichlorophenoxy)methyl]benzimidazole
CID 16997200
(2R)-1-(2-chlorophenoxy)-3-(2-methylbenzimidazol-1-yl)propan-2-ol
CID 877426
2-[(2-chlorophenoxy)methyl]-1-prop-2-ynylbenzimidazole
CID 16997288
1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-methylbenzimidazole
CID 16995223
1-[2-(2-chlorophenoxy)ethyl]-2-[(3,4-dimethoxyphenyl)methyl]benzimidazole
CID 18878525
2-(2-methylbenzimidazol-1-yl)-N-[(Z)-(2-prop-2-ynoxyphenyl)methylideneamino]acetamide
CID 9121317
2-chloro-4-fluoro-1-(2-prop-2-ynoxyphenoxy)benzene
CID 173273486
1-[2-(3-methoxyphenyl)ethoxy]-2,4-dimethylbenzimidazole
CID 91261174

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chloro-4-prop-2-ynoxyphenyl)ethoxy]-2-methylbenzimidazole?
The IUPAC name of 1-[2-(3-chloro-4-prop-2-ynoxyphenyl)ethoxy]-2-methylbenzimidazole (CID 134102988) is 1-[2-(3-chloro-4-prop-2-ynoxyphenyl)ethoxy]-2-methylbenzimidazole.
What is the SMILES notation for 1-[2-(3-chloro-4-prop-2-ynoxyphenyl)ethoxy]-2-methylbenzimidazole?
The canonical SMILES for 1-[2-(3-chloro-4-prop-2-ynoxyphenyl)ethoxy]-2-methylbenzimidazole is C#CCOc1ccc(CCOn2c(C)nc3ccccc32)cc1Cl.
What is the InChIKey of 1-[2-(3-chloro-4-prop-2-ynoxyphenyl)ethoxy]-2-methylbenzimidazole?
The InChIKey is JHPVSUAAONUBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2/c1-3-11-23-19-9-8-15(13-16(19)20)10-12-24-22-14(2)21-17-6-4-5-7-18(17)22/h1,4-9,13H,10-12H2,2H3.
What are the key properties of 1-[2-(3-chloro-4-prop-2-ynoxyphenyl)ethoxy]-2-methylbenzimidazole?
1-[2-(3-chloro-4-prop-2-ynoxyphenyl)ethoxy]-2-methylbenzimidazole has a molecular weight of 340.81 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chloro-4-prop-2-ynoxyphenyl)ethoxy]-2-methylbenzimidazole is sourced from PubChem (CID 134102988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).