4-methoxy-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]benzamide

C21H24N4O2 — CID 90643405

IUPAC4-methoxy-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2nc3ccccc3n2CCN2CCCC2)cc1
InChIInChI=1S/C21H24N4O2/c1-27-17-10-8-16(9-11-17)20(26)23-21-22-18-6-2-3-7-19(18)25(21)15-14-24-12-4-5-13-24/h2-3,6-11H,4-5,12-15H2,1H3,(H,22,23,26)
InChIKeyVRQALVJSNKWPQB-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.39
Rot. Bonds6

About 4-methoxy-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]benzamide

4-methoxy-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]benzamide (PubChem CID 90643405) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 4-methoxy-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]benzamide
PubChem CID90643405
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name4-methoxy-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2nc3ccccc3n2CCN2CCCC2)cc1
InChIInChI=1S/C21H24N4O2/c1-27-17-10-8-16(9-11-17)20(26)23-21-22-18-6-2-3-7-19(18)25(21)15-14-24-12-4-5-13-24/h2-3,6-11H,4-5,12-15H2,1H3,(H,22,23,26)
InChIKeyVRQALVJSNKWPQB-UHFFFAOYSA-N
XLogP3.39
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]benzamide?
The IUPAC name of 4-methoxy-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]benzamide (CID 90643405) is 4-methoxy-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]benzamide.
What is the SMILES notation for 4-methoxy-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]benzamide?
The canonical SMILES for 4-methoxy-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]benzamide is COc1ccc(C(=O)Nc2nc3ccccc3n2CCN2CCCC2)cc1.
What is the InChIKey of 4-methoxy-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]benzamide?
The InChIKey is VRQALVJSNKWPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-27-17-10-8-16(9-11-17)20(26)23-21-22-18-6-2-3-7-19(18)25(21)15-14-24-12-4-5-13-24/h2-3,6-11H,4-5,12-15H2,1H3,(H,22,23,26).
What are the key properties of 4-methoxy-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]benzamide?
4-methoxy-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]benzamide has a molecular weight of 364.45 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]benzamide is sourced from PubChem (CID 90643405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).