3-(3-hydroxy-3-methylbutyl)-N-methyl-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]benzamide

C23H29N3O2 — CID 70761369

IUPAC3-(3-hydroxy-3-methylbutyl)-N-methyl-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]benzamide
SMILESCc1cccc2[nH]c(CCN(C)C(=O)c3cccc(CCC(C)(C)O)c3)nc12
InChIInChI=1S/C23H29N3O2/c1-16-7-5-10-19-21(16)25-20(24-19)12-14-26(4)22(27)18-9-6-8-17(15-18)11-13-23(2,3)28/h5-10,15,28H,11-14H2,1-4H3,(H,24,25)
InChIKeySTKJRMJIYJBZQI-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.89
Rot. Bonds7

About 3-(3-hydroxy-3-methylbutyl)-N-methyl-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]benzamide

3-(3-hydroxy-3-methylbutyl)-N-methyl-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]benzamide (PubChem CID 70761369) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 3-(3-hydroxy-3-methylbutyl)-N-methyl-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-(3-hydroxy-3-methylbutyl)-N-methyl-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]benzamide
PubChem CID70761369
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name3-(3-hydroxy-3-methylbutyl)-N-methyl-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]benzamide
SMILESCc1cccc2[nH]c(CCN(C)C(=O)c3cccc(CCC(C)(C)O)c3)nc12
InChIInChI=1S/C23H29N3O2/c1-16-7-5-10-19-21(16)25-20(24-19)12-14-26(4)22(27)18-9-6-8-17(15-18)11-13-23(2,3)28/h5-10,15,28H,11-14H2,1-4H3,(H,24,25)
InChIKeySTKJRMJIYJBZQI-UHFFFAOYSA-N
XLogP3.89
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-3-methylbutyl)-N-methyl-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]benzamide?
The IUPAC name of 3-(3-hydroxy-3-methylbutyl)-N-methyl-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]benzamide (CID 70761369) is 3-(3-hydroxy-3-methylbutyl)-N-methyl-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 3-(3-hydroxy-3-methylbutyl)-N-methyl-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]benzamide?
The canonical SMILES for 3-(3-hydroxy-3-methylbutyl)-N-methyl-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]benzamide is Cc1cccc2[nH]c(CCN(C)C(=O)c3cccc(CCC(C)(C)O)c3)nc12.
What is the InChIKey of 3-(3-hydroxy-3-methylbutyl)-N-methyl-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]benzamide?
The InChIKey is STKJRMJIYJBZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-16-7-5-10-19-21(16)25-20(24-19)12-14-26(4)22(27)18-9-6-8-17(15-18)11-13-23(2,3)28/h5-10,15,28H,11-14H2,1-4H3,(H,24,25).
What are the key properties of 3-(3-hydroxy-3-methylbutyl)-N-methyl-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]benzamide?
3-(3-hydroxy-3-methylbutyl)-N-methyl-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]benzamide has a molecular weight of 379.50 g/mol, XLogP of 3.89, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxy-3-methylbutyl)-N-methyl-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 70761369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).