1-[5-chloro-1-[2-(3,4-dimethoxyphenyl)ethyl]benzimidazol-2-yl]ethanol

C19H21ClN2O3 — CID 46309801

IUPAC1-[5-chloro-1-[2-(3,4-dimethoxyphenyl)ethyl]benzimidazol-2-yl]ethanol
SMILESCOc1ccc(CCn2c(C(C)O)nc3cc(Cl)ccc32)cc1OC
InChIInChI=1S/C19H21ClN2O3/c1-12(23)19-21-15-11-14(20)5-6-16(15)22(19)9-8-13-4-7-17(24-2)18(10-13)25-3/h4-7,10-12,23H,8-9H2,1-3H3
InChIKeyHQKVMEWRRSPJDK-UHFFFAOYSA-N
MW360.84 g/mol
LogP4.00
Rot. Bonds6

About 1-[5-chloro-1-[2-(3,4-dimethoxyphenyl)ethyl]benzimidazol-2-yl]ethanol

1-[5-chloro-1-[2-(3,4-dimethoxyphenyl)ethyl]benzimidazol-2-yl]ethanol (PubChem CID 46309801) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is 1-[5-chloro-1-[2-(3,4-dimethoxyphenyl)ethyl]benzimidazol-2-yl]ethanol.

Molecular Properties

Compound Name1-[5-chloro-1-[2-(3,4-dimethoxyphenyl)ethyl]benzimidazol-2-yl]ethanol
PubChem CID46309801
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC Name1-[5-chloro-1-[2-(3,4-dimethoxyphenyl)ethyl]benzimidazol-2-yl]ethanol
SMILESCOc1ccc(CCn2c(C(C)O)nc3cc(Cl)ccc32)cc1OC
InChIInChI=1S/C19H21ClN2O3/c1-12(23)19-21-15-11-14(20)5-6-16(15)22(19)9-8-13-4-7-17(24-2)18(10-13)25-3/h4-7,10-12,23H,8-9H2,1-3H3
InChIKeyHQKVMEWRRSPJDK-UHFFFAOYSA-N
XLogP4.00
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-propan-2-ylbenzimidazole
CID 46309795
2-tert-butyl-5-chloro-1-[2-(3,4-dimethoxyphenyl)ethyl]benzimidazole
CID 46309807
1-[1-[(3,4-dimethoxyphenyl)methyl]benzimidazol-2-yl]ethanol
CID 3835157
3-[5-chloro-2-(1-hydroxyethyl)benzimidazol-1-yl]propan-1-ol
CID 46308438
(1R)-1-[5-chloro-1-(2-ethoxyethyl)benzimidazol-2-yl]ethanol
CID 51977609
5-chloro-2-[(3,4-dimethoxyphenyl)methyl]-1-(2-methylpropyl)benzimidazole
CID 46310881
5-chloro-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2,4-dimethylphenoxy)methyl]benzimidazole
CID 46309847
1-[6-chloro-1-[2-(3,4-dimethoxyphenyl)ethyl]benzimidazol-2-yl]-N-methylmethanamine
CID 46309861
2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 30398563
(2S)-1-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-3-[(3,4-dimethoxyphenyl)methoxy]propan-2-ol
CID 51645158
(1S)-1-[1-[(2R)-butan-2-yl]-5-chlorobenzimidazol-2-yl]ethanol
CID 51978429
3-[5-chloro-2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-N,N-diethylpropan-1-amine
CID 46308855

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-1-[2-(3,4-dimethoxyphenyl)ethyl]benzimidazol-2-yl]ethanol?
The IUPAC name of 1-[5-chloro-1-[2-(3,4-dimethoxyphenyl)ethyl]benzimidazol-2-yl]ethanol (CID 46309801) is 1-[5-chloro-1-[2-(3,4-dimethoxyphenyl)ethyl]benzimidazol-2-yl]ethanol.
What is the SMILES notation for 1-[5-chloro-1-[2-(3,4-dimethoxyphenyl)ethyl]benzimidazol-2-yl]ethanol?
The canonical SMILES for 1-[5-chloro-1-[2-(3,4-dimethoxyphenyl)ethyl]benzimidazol-2-yl]ethanol is COc1ccc(CCn2c(C(C)O)nc3cc(Cl)ccc32)cc1OC.
What is the InChIKey of 1-[5-chloro-1-[2-(3,4-dimethoxyphenyl)ethyl]benzimidazol-2-yl]ethanol?
The InChIKey is HQKVMEWRRSPJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-12(23)19-21-15-11-14(20)5-6-16(15)22(19)9-8-13-4-7-17(24-2)18(10-13)25-3/h4-7,10-12,23H,8-9H2,1-3H3.
What are the key properties of 1-[5-chloro-1-[2-(3,4-dimethoxyphenyl)ethyl]benzimidazol-2-yl]ethanol?
1-[5-chloro-1-[2-(3,4-dimethoxyphenyl)ethyl]benzimidazol-2-yl]ethanol has a molecular weight of 360.84 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-1-[2-(3,4-dimethoxyphenyl)ethyl]benzimidazol-2-yl]ethanol is sourced from PubChem (CID 46309801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).