1-[2-(3-chlorophenyl)benzimidazol-1-yl]-3-morpholin-4-ylpropan-2-ol

C20H22ClN3O2 — CID 666898

IUPAC1-[2-(3-chlorophenyl)benzimidazol-1-yl]-3-morpholin-4-ylpropan-2-ol
SMILESOC(CN1CCOCC1)Cn1c(-c2cccc(Cl)c2)nc2ccccc21
InChIInChI=1S/C20H22ClN3O2/c21-16-5-3-4-15(12-16)20-22-18-6-1-2-7-19(18)24(20)14-17(25)13-23-8-10-26-11-9-23/h1-7,12,17,25H,8-11,13-14H2
InChIKeyABOHQTNZFNKQDR-UHFFFAOYSA-N
MW371.87 g/mol
LogP3.05
Rot. Bonds5

About 1-[2-(3-chlorophenyl)benzimidazol-1-yl]-3-morpholin-4-ylpropan-2-ol

1-[2-(3-chlorophenyl)benzimidazol-1-yl]-3-morpholin-4-ylpropan-2-ol (PubChem CID 666898) has the molecular formula C20H22ClN3O2 and a molecular weight of 371.87 g/mol. Its IUPAC name is 1-[2-(3-chlorophenyl)benzimidazol-1-yl]-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-[2-(3-chlorophenyl)benzimidazol-1-yl]-3-morpholin-4-ylpropan-2-ol
PubChem CID666898
Molecular FormulaC20H22ClN3O2
Molecular Weight371.87 g/mol
Exact Mass371.14
IUPAC Name1-[2-(3-chlorophenyl)benzimidazol-1-yl]-3-morpholin-4-ylpropan-2-ol
SMILESOC(CN1CCOCC1)Cn1c(-c2cccc(Cl)c2)nc2ccccc21
InChIInChI=1S/C20H22ClN3O2/c21-16-5-3-4-15(12-16)20-22-18-6-1-2-7-19(18)24(20)14-17(25)13-23-8-10-26-11-9-23/h1-7,12,17,25H,8-11,13-14H2
InChIKeyABOHQTNZFNKQDR-UHFFFAOYSA-N
XLogP3.05
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenyl)benzimidazol-1-yl]-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of 1-[2-(3-chlorophenyl)benzimidazol-1-yl]-3-morpholin-4-ylpropan-2-ol (CID 666898) is 1-[2-(3-chlorophenyl)benzimidazol-1-yl]-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for 1-[2-(3-chlorophenyl)benzimidazol-1-yl]-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for 1-[2-(3-chlorophenyl)benzimidazol-1-yl]-3-morpholin-4-ylpropan-2-ol is OC(CN1CCOCC1)Cn1c(-c2cccc(Cl)c2)nc2ccccc21.
What is the InChIKey of 1-[2-(3-chlorophenyl)benzimidazol-1-yl]-3-morpholin-4-ylpropan-2-ol?
The InChIKey is ABOHQTNZFNKQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O2/c21-16-5-3-4-15(12-16)20-22-18-6-1-2-7-19(18)24(20)14-17(25)13-23-8-10-26-11-9-23/h1-7,12,17,25H,8-11,13-14H2.
What are the key properties of 1-[2-(3-chlorophenyl)benzimidazol-1-yl]-3-morpholin-4-ylpropan-2-ol?
1-[2-(3-chlorophenyl)benzimidazol-1-yl]-3-morpholin-4-ylpropan-2-ol has a molecular weight of 371.87 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenyl)benzimidazol-1-yl]-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 666898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).