3-(benzimidazol-1-yl)-N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]propanamide

C23H25N3O3 — CID 91759809

IUPAC3-(benzimidazol-1-yl)-N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]propanamide
SMILESO=C(CCn1cnc2ccccc21)NC(c1ccc2c(c1)CCO2)C1CC(O)C1
InChIInChI=1S/C23H25N3O3/c27-18-12-17(13-18)23(16-5-6-21-15(11-16)8-10-29-21)25-22(28)7-9-26-14-24-19-3-1-2-4-20(19)26/h1-6,11,14,17-18,23,27H,7-10,12-13H2,(H,25,28)
InChIKeyVJMDWGJUMYILLC-UHFFFAOYSA-N
MW391.47 g/mol
LogP2.99
Rot. Bonds6

About 3-(benzimidazol-1-yl)-N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]propanamide

3-(benzimidazol-1-yl)-N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]propanamide (PubChem CID 91759809) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 3-(benzimidazol-1-yl)-N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]propanamide.

Molecular Properties

Compound Name3-(benzimidazol-1-yl)-N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]propanamide
PubChem CID91759809
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name3-(benzimidazol-1-yl)-N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]propanamide
SMILESO=C(CCn1cnc2ccccc21)NC(c1ccc2c(c1)CCO2)C1CC(O)C1
InChIInChI=1S/C23H25N3O3/c27-18-12-17(13-18)23(16-5-6-21-15(11-16)8-10-29-21)25-22(28)7-9-26-14-24-19-3-1-2-4-20(19)26/h1-6,11,14,17-18,23,27H,7-10,12-13H2,(H,25,28)
InChIKeyVJMDWGJUMYILLC-UHFFFAOYSA-N
XLogP2.99
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-3-pyrrolidin-1-ylpropanamide
CID 91765140
3-(azepan-1-yl)-N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]propanamide
CID 91769128
N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-methylsulfanylacetamide
CID 91768807
3-(benzimidazol-1-yl)-N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]propanamide
CID 91794083
N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-3-pyridin-4-ylpropanamide
CID 91760338
N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-(dimethylcarbamoylamino)acetamide
CID 91769960
N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]oxane-4-carboxamide
CID 91784935
2-[cyclopentyl(methyl)amino]-N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]acetamide
CID 91778926
N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]pyridine-4-carboxamide
CID 91784492
N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-(3,5-dimethylpyrazolidin-4-yl)acetamide
CID 133268359
N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]cyclobutanecarboxamide
CID 91771691
N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-oxo-2-pyrrolidin-1-ylacetamide
CID 91786178

Frequently Asked Questions

What is the IUPAC name of 3-(benzimidazol-1-yl)-N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]propanamide?
The IUPAC name of 3-(benzimidazol-1-yl)-N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]propanamide (CID 91759809) is 3-(benzimidazol-1-yl)-N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]propanamide.
What is the SMILES notation for 3-(benzimidazol-1-yl)-N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]propanamide?
The canonical SMILES for 3-(benzimidazol-1-yl)-N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]propanamide is O=C(CCn1cnc2ccccc21)NC(c1ccc2c(c1)CCO2)C1CC(O)C1.
What is the InChIKey of 3-(benzimidazol-1-yl)-N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]propanamide?
The InChIKey is VJMDWGJUMYILLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c27-18-12-17(13-18)23(16-5-6-21-15(11-16)8-10-29-21)25-22(28)7-9-26-14-24-19-3-1-2-4-20(19)26/h1-6,11,14,17-18,23,27H,7-10,12-13H2,(H,25,28).
What are the key properties of 3-(benzimidazol-1-yl)-N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]propanamide?
3-(benzimidazol-1-yl)-N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]propanamide has a molecular weight of 391.47 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzimidazol-1-yl)-N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]propanamide is sourced from PubChem (CID 91759809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).