6-chloro-1-(2-methoxyethyl)-2-propan-2-ylbenzimidazole

C13H17ClN2O — CID 46309104

IUPAC6-chloro-1-(2-methoxyethyl)-2-propan-2-ylbenzimidazole
SMILESCOCCn1c(C(C)C)nc2ccc(Cl)cc21
InChIInChI=1S/C13H17ClN2O/c1-9(2)13-15-11-5-4-10(14)8-12(11)16(13)6-7-17-3/h4-5,8-9H,6-7H2,1-3H3
InChIKeyHINSKDWHXJVSPX-UHFFFAOYSA-N
MW252.74 g/mol
LogP3.46
Rot. Bonds4

About 6-chloro-1-(2-methoxyethyl)-2-propan-2-ylbenzimidazole

6-chloro-1-(2-methoxyethyl)-2-propan-2-ylbenzimidazole (PubChem CID 46309104) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is 6-chloro-1-(2-methoxyethyl)-2-propan-2-ylbenzimidazole.

Molecular Properties

Compound Name6-chloro-1-(2-methoxyethyl)-2-propan-2-ylbenzimidazole
PubChem CID46309104
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name6-chloro-1-(2-methoxyethyl)-2-propan-2-ylbenzimidazole
SMILESCOCCn1c(C(C)C)nc2ccc(Cl)cc21
InChIInChI=1S/C13H17ClN2O/c1-9(2)13-15-11-5-4-10(14)8-12(11)16(13)6-7-17-3/h4-5,8-9H,6-7H2,1-3H3
InChIKeyHINSKDWHXJVSPX-UHFFFAOYSA-N
XLogP3.46
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-2-(1-chloroethyl)-1-(2-ethoxyethyl)benzimidazole
CID 113316296
6-chloro-2-(1-chloroethyl)-1-(3-methoxy-2-methylpropyl)benzimidazole
CID 113316345
4-[3-(6-chloro-2-propan-2-ylbenzimidazol-1-yl)propyl]morpholine
CID 46309516
6-chloro-2-cyclohexyl-1-(2-methoxyethyl)benzimidazole
CID 46309125
6-chloro-2-(1-chloroethyl)-1-(1-methoxy-3-methylbutan-2-yl)benzimidazole
CID 115471645
6-chloro-1-(furan-2-ylmethyl)-2-propan-2-ylbenzimidazole
CID 46310200
6-chloro-1-(2-methoxyethyl)-2-(phenoxymethyl)benzimidazole
CID 46309145
6-chloro-2-(1-chloroethyl)-1-(2-methylsulfanylethyl)benzimidazole
CID 115471567
6-chloro-2-(1-chloroethyl)-1-(3-methylsulfanylbutyl)benzimidazole
CID 113494127
2-[6-chloro-1-(3-methoxypropyl)benzimidazol-2-yl]ethanamine
CID 46308639
6-chloro-2-[(2,4-dimethylphenoxy)methyl]-1-(2-methoxyethyl)benzimidazole
CID 46309156
3-[6-chloro-1-(3-methoxypropyl)benzimidazol-2-yl]propan-1-amine
CID 46308643

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(2-methoxyethyl)-2-propan-2-ylbenzimidazole?
The IUPAC name of 6-chloro-1-(2-methoxyethyl)-2-propan-2-ylbenzimidazole (CID 46309104) is 6-chloro-1-(2-methoxyethyl)-2-propan-2-ylbenzimidazole.
What is the SMILES notation for 6-chloro-1-(2-methoxyethyl)-2-propan-2-ylbenzimidazole?
The canonical SMILES for 6-chloro-1-(2-methoxyethyl)-2-propan-2-ylbenzimidazole is COCCn1c(C(C)C)nc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-1-(2-methoxyethyl)-2-propan-2-ylbenzimidazole?
The InChIKey is HINSKDWHXJVSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-9(2)13-15-11-5-4-10(14)8-12(11)16(13)6-7-17-3/h4-5,8-9H,6-7H2,1-3H3.
What are the key properties of 6-chloro-1-(2-methoxyethyl)-2-propan-2-ylbenzimidazole?
6-chloro-1-(2-methoxyethyl)-2-propan-2-ylbenzimidazole has a molecular weight of 252.74 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(2-methoxyethyl)-2-propan-2-ylbenzimidazole is sourced from PubChem (CID 46309104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).