2-[6-chloro-2-[[1-(2-methoxyphenyl)ethylamino]methyl]benzimidazol-1-yl]ethanol

C19H22ClN3O2 — CID 4827219

IUPAC2-[6-chloro-2-[[1-(2-methoxyphenyl)ethylamino]methyl]benzimidazol-1-yl]ethanol
SMILESCOc1ccccc1C(C)NCc1nc2ccc(Cl)cc2n1CCO
InChIInChI=1S/C19H22ClN3O2/c1-13(15-5-3-4-6-18(15)25-2)21-12-19-22-16-8-7-14(20)11-17(16)23(19)9-10-24/h3-8,11,13,21,24H,9-10,12H2,1-2H3
InChIKeySOVRIRFPZUDHGT-UHFFFAOYSA-N
MW359.86 g/mol
LogP3.54
Rot. Bonds7

About 2-[6-chloro-2-[[1-(2-methoxyphenyl)ethylamino]methyl]benzimidazol-1-yl]ethanol

2-[6-chloro-2-[[1-(2-methoxyphenyl)ethylamino]methyl]benzimidazol-1-yl]ethanol (PubChem CID 4827219) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is 2-[6-chloro-2-[[1-(2-methoxyphenyl)ethylamino]methyl]benzimidazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[6-chloro-2-[[1-(2-methoxyphenyl)ethylamino]methyl]benzimidazol-1-yl]ethanol
PubChem CID4827219
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC Name2-[6-chloro-2-[[1-(2-methoxyphenyl)ethylamino]methyl]benzimidazol-1-yl]ethanol
SMILESCOc1ccccc1C(C)NCc1nc2ccc(Cl)cc2n1CCO
InChIInChI=1S/C19H22ClN3O2/c1-13(15-5-3-4-6-18(15)25-2)21-12-19-22-16-8-7-14(20)11-17(16)23(19)9-10-24/h3-8,11,13,21,24H,9-10,12H2,1-2H3
InChIKeySOVRIRFPZUDHGT-UHFFFAOYSA-N
XLogP3.54
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-2-[[1-(2-methoxyphenyl)ethylamino]methyl]benzimidazol-1-yl]ethanol?
The IUPAC name of 2-[6-chloro-2-[[1-(2-methoxyphenyl)ethylamino]methyl]benzimidazol-1-yl]ethanol (CID 4827219) is 2-[6-chloro-2-[[1-(2-methoxyphenyl)ethylamino]methyl]benzimidazol-1-yl]ethanol.
What is the SMILES notation for 2-[6-chloro-2-[[1-(2-methoxyphenyl)ethylamino]methyl]benzimidazol-1-yl]ethanol?
The canonical SMILES for 2-[6-chloro-2-[[1-(2-methoxyphenyl)ethylamino]methyl]benzimidazol-1-yl]ethanol is COc1ccccc1C(C)NCc1nc2ccc(Cl)cc2n1CCO.
What is the InChIKey of 2-[6-chloro-2-[[1-(2-methoxyphenyl)ethylamino]methyl]benzimidazol-1-yl]ethanol?
The InChIKey is SOVRIRFPZUDHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c1-13(15-5-3-4-6-18(15)25-2)21-12-19-22-16-8-7-14(20)11-17(16)23(19)9-10-24/h3-8,11,13,21,24H,9-10,12H2,1-2H3.
What are the key properties of 2-[6-chloro-2-[[1-(2-methoxyphenyl)ethylamino]methyl]benzimidazol-1-yl]ethanol?
2-[6-chloro-2-[[1-(2-methoxyphenyl)ethylamino]methyl]benzimidazol-1-yl]ethanol has a molecular weight of 359.86 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-2-[[1-(2-methoxyphenyl)ethylamino]methyl]benzimidazol-1-yl]ethanol is sourced from PubChem (CID 4827219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).