3-(2-hydroxy-3-methyl-1-propyl-2H-benzimidazol-5-yl)-N,N-dimethylbenzamide

C20H25N3O2 — CID 123519132

IUPAC3-(2-hydroxy-3-methyl-1-propyl-2H-benzimidazol-5-yl)-N,N-dimethylbenzamide
SMILESCCCN1c2ccc(-c3cccc(C(=O)N(C)C)c3)cc2N(C)C1O
InChIInChI=1S/C20H25N3O2/c1-5-11-23-17-10-9-15(13-18(17)22(4)20(23)25)14-7-6-8-16(12-14)19(24)21(2)3/h6-10,12-13,20,25H,5,11H2,1-4H3
InChIKeyDYIZKAROIKGSJP-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.00
Rot. Bonds4

About 3-(2-hydroxy-3-methyl-1-propyl-2H-benzimidazol-5-yl)-N,N-dimethylbenzamide

3-(2-hydroxy-3-methyl-1-propyl-2H-benzimidazol-5-yl)-N,N-dimethylbenzamide (PubChem CID 123519132) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 3-(2-hydroxy-3-methyl-1-propyl-2H-benzimidazol-5-yl)-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-(2-hydroxy-3-methyl-1-propyl-2H-benzimidazol-5-yl)-N,N-dimethylbenzamide
PubChem CID123519132
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name3-(2-hydroxy-3-methyl-1-propyl-2H-benzimidazol-5-yl)-N,N-dimethylbenzamide
SMILESCCCN1c2ccc(-c3cccc(C(=O)N(C)C)c3)cc2N(C)C1O
InChIInChI=1S/C20H25N3O2/c1-5-11-23-17-10-9-15(13-18(17)22(4)20(23)25)14-7-6-8-16(12-14)19(24)21(2)3/h6-10,12-13,20,25H,5,11H2,1-4H3
InChIKeyDYIZKAROIKGSJP-UHFFFAOYSA-N
XLogP3.00
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-3-methyl-1-propyl-2H-benzimidazol-5-yl)-N,N-dimethylbenzamide?
The IUPAC name of 3-(2-hydroxy-3-methyl-1-propyl-2H-benzimidazol-5-yl)-N,N-dimethylbenzamide (CID 123519132) is 3-(2-hydroxy-3-methyl-1-propyl-2H-benzimidazol-5-yl)-N,N-dimethylbenzamide.
What is the SMILES notation for 3-(2-hydroxy-3-methyl-1-propyl-2H-benzimidazol-5-yl)-N,N-dimethylbenzamide?
The canonical SMILES for 3-(2-hydroxy-3-methyl-1-propyl-2H-benzimidazol-5-yl)-N,N-dimethylbenzamide is CCCN1c2ccc(-c3cccc(C(=O)N(C)C)c3)cc2N(C)C1O.
What is the InChIKey of 3-(2-hydroxy-3-methyl-1-propyl-2H-benzimidazol-5-yl)-N,N-dimethylbenzamide?
The InChIKey is DYIZKAROIKGSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-5-11-23-17-10-9-15(13-18(17)22(4)20(23)25)14-7-6-8-16(12-14)19(24)21(2)3/h6-10,12-13,20,25H,5,11H2,1-4H3.
What are the key properties of 3-(2-hydroxy-3-methyl-1-propyl-2H-benzimidazol-5-yl)-N,N-dimethylbenzamide?
3-(2-hydroxy-3-methyl-1-propyl-2H-benzimidazol-5-yl)-N,N-dimethylbenzamide has a molecular weight of 339.44 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-3-methyl-1-propyl-2H-benzimidazol-5-yl)-N,N-dimethylbenzamide is sourced from PubChem (CID 123519132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).