5-(2-propoxypropan-2-yl)-1-(3-pyrrolidin-1-ylphenyl)benzimidazole

C23H29N3O — CID 11439904

IUPAC5-(2-propoxypropan-2-yl)-1-(3-pyrrolidin-1-ylphenyl)benzimidazole
SMILESCCCOC(C)(C)c1ccc2c(c1)ncn2-c1cccc(N2CCCC2)c1
InChIInChI=1S/C23H29N3O/c1-4-14-27-23(2,3)18-10-11-22-21(15-18)24-17-26(22)20-9-7-8-19(16-20)25-12-5-6-13-25/h7-11,15-17H,4-6,12-14H2,1-3H3
InChIKeySTUACFILOGFHKM-UHFFFAOYSA-N
MW363.51 g/mol
LogP5.29
Rot. Bonds6

About 5-(2-propoxypropan-2-yl)-1-(3-pyrrolidin-1-ylphenyl)benzimidazole

5-(2-propoxypropan-2-yl)-1-(3-pyrrolidin-1-ylphenyl)benzimidazole (PubChem CID 11439904) has the molecular formula C23H29N3O and a molecular weight of 363.51 g/mol. Its IUPAC name is 5-(2-propoxypropan-2-yl)-1-(3-pyrrolidin-1-ylphenyl)benzimidazole.

Molecular Properties

Compound Name5-(2-propoxypropan-2-yl)-1-(3-pyrrolidin-1-ylphenyl)benzimidazole
PubChem CID11439904
Molecular FormulaC23H29N3O
Molecular Weight363.51 g/mol
Exact Mass363.23
IUPAC Name5-(2-propoxypropan-2-yl)-1-(3-pyrrolidin-1-ylphenyl)benzimidazole
SMILESCCCOC(C)(C)c1ccc2c(c1)ncn2-c1cccc(N2CCCC2)c1
InChIInChI=1S/C23H29N3O/c1-4-14-27-23(2,3)18-10-11-22-21(15-18)24-17-26(22)20-9-7-8-19(16-20)25-12-5-6-13-25/h7-11,15-17H,4-6,12-14H2,1-3H3
InChIKeySTUACFILOGFHKM-UHFFFAOYSA-N
XLogP5.29
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.51
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-propoxypropan-2-yl)-1-(3-pyrrolidin-1-ylphenyl)benzimidazole?
The IUPAC name of 5-(2-propoxypropan-2-yl)-1-(3-pyrrolidin-1-ylphenyl)benzimidazole (CID 11439904) is 5-(2-propoxypropan-2-yl)-1-(3-pyrrolidin-1-ylphenyl)benzimidazole.
What is the SMILES notation for 5-(2-propoxypropan-2-yl)-1-(3-pyrrolidin-1-ylphenyl)benzimidazole?
The canonical SMILES for 5-(2-propoxypropan-2-yl)-1-(3-pyrrolidin-1-ylphenyl)benzimidazole is CCCOC(C)(C)c1ccc2c(c1)ncn2-c1cccc(N2CCCC2)c1.
What is the InChIKey of 5-(2-propoxypropan-2-yl)-1-(3-pyrrolidin-1-ylphenyl)benzimidazole?
The InChIKey is STUACFILOGFHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O/c1-4-14-27-23(2,3)18-10-11-22-21(15-18)24-17-26(22)20-9-7-8-19(16-20)25-12-5-6-13-25/h7-11,15-17H,4-6,12-14H2,1-3H3.
What are the key properties of 5-(2-propoxypropan-2-yl)-1-(3-pyrrolidin-1-ylphenyl)benzimidazole?
5-(2-propoxypropan-2-yl)-1-(3-pyrrolidin-1-ylphenyl)benzimidazole has a molecular weight of 363.51 g/mol, XLogP of 5.29, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-propoxypropan-2-yl)-1-(3-pyrrolidin-1-ylphenyl)benzimidazole is sourced from PubChem (CID 11439904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).