3-(benzimidazol-1-yl)-N-[(5-methoxy-1H-indol-2-yl)methyl]propanamide

C20H20N4O2 — CID 91795395

IUPAC3-(benzimidazol-1-yl)-N-[(5-methoxy-1H-indol-2-yl)methyl]propanamide
SMILESCOc1ccc2[nH]c(CNC(=O)CCn3cnc4ccccc43)cc2c1
InChIInChI=1S/C20H20N4O2/c1-26-16-6-7-17-14(11-16)10-15(23-17)12-21-20(25)8-9-24-13-22-18-4-2-3-5-19(18)24/h2-7,10-11,13,23H,8-9,12H2,1H3,(H,21,25)
InChIKeyTUIGROPDFAUJCJ-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.23
Rot. Bonds6

About 3-(benzimidazol-1-yl)-N-[(5-methoxy-1H-indol-2-yl)methyl]propanamide

3-(benzimidazol-1-yl)-N-[(5-methoxy-1H-indol-2-yl)methyl]propanamide (PubChem CID 91795395) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 3-(benzimidazol-1-yl)-N-[(5-methoxy-1H-indol-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(benzimidazol-1-yl)-N-[(5-methoxy-1H-indol-2-yl)methyl]propanamide
PubChem CID91795395
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name3-(benzimidazol-1-yl)-N-[(5-methoxy-1H-indol-2-yl)methyl]propanamide
SMILESCOc1ccc2[nH]c(CNC(=O)CCn3cnc4ccccc43)cc2c1
InChIInChI=1S/C20H20N4O2/c1-26-16-6-7-17-14(11-16)10-15(23-17)12-21-20(25)8-9-24-13-22-18-4-2-3-5-19(18)24/h2-7,10-11,13,23H,8-9,12H2,1H3,(H,21,25)
InChIKeyTUIGROPDFAUJCJ-UHFFFAOYSA-N
XLogP3.23
TPSA71.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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3-(benzimidazol-1-yl)-N-benzylpropanamide
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3-[2-[(5-methoxy-1H-indol-2-yl)methylamino]propyl]quinazolin-4-one
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3-(benzimidazol-1-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide
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N-[(5-methoxy-1H-indol-2-yl)methyl]-2-(1-methylpyrrol-2-yl)-2-oxoacetamide
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2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(5-methoxy-1H-indol-2-yl)methyl]acetamide
CID 119068950
3-(benzimidazol-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide
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N-[2-(benzimidazol-1-yl)ethyl]butanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(benzimidazol-1-yl)-N-[(5-methoxy-1H-indol-2-yl)methyl]propanamide?
The IUPAC name of 3-(benzimidazol-1-yl)-N-[(5-methoxy-1H-indol-2-yl)methyl]propanamide (CID 91795395) is 3-(benzimidazol-1-yl)-N-[(5-methoxy-1H-indol-2-yl)methyl]propanamide.
What is the SMILES notation for 3-(benzimidazol-1-yl)-N-[(5-methoxy-1H-indol-2-yl)methyl]propanamide?
The canonical SMILES for 3-(benzimidazol-1-yl)-N-[(5-methoxy-1H-indol-2-yl)methyl]propanamide is COc1ccc2[nH]c(CNC(=O)CCn3cnc4ccccc43)cc2c1.
What is the InChIKey of 3-(benzimidazol-1-yl)-N-[(5-methoxy-1H-indol-2-yl)methyl]propanamide?
The InChIKey is TUIGROPDFAUJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-26-16-6-7-17-14(11-16)10-15(23-17)12-21-20(25)8-9-24-13-22-18-4-2-3-5-19(18)24/h2-7,10-11,13,23H,8-9,12H2,1H3,(H,21,25).
What are the key properties of 3-(benzimidazol-1-yl)-N-[(5-methoxy-1H-indol-2-yl)methyl]propanamide?
3-(benzimidazol-1-yl)-N-[(5-methoxy-1H-indol-2-yl)methyl]propanamide has a molecular weight of 348.41 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzimidazol-1-yl)-N-[(5-methoxy-1H-indol-2-yl)methyl]propanamide is sourced from PubChem (CID 91795395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).