1-(2-cyclopropyl-3H-benzimidazol-5-yl)-3-piperidin-1-ylpropan-1-one

C18H23N3O — CID 82052786

IUPAC1-(2-cyclopropyl-3H-benzimidazol-5-yl)-3-piperidin-1-ylpropan-1-one
SMILESO=C(CCN1CCCCC1)c1ccc2nc(C3CC3)[nH]c2c1
InChIInChI=1S/C18H23N3O/c22-17(8-11-21-9-2-1-3-10-21)14-6-7-15-16(12-14)20-18(19-15)13-4-5-13/h6-7,12-13H,1-5,8-11H2,(H,19,20)
InChIKeyQRKFOVIKEKFBNP-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.50
Rot. Bonds5

About 1-(2-cyclopropyl-3H-benzimidazol-5-yl)-3-piperidin-1-ylpropan-1-one

1-(2-cyclopropyl-3H-benzimidazol-5-yl)-3-piperidin-1-ylpropan-1-one (PubChem CID 82052786) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-(2-cyclopropyl-3H-benzimidazol-5-yl)-3-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(2-cyclopropyl-3H-benzimidazol-5-yl)-3-piperidin-1-ylpropan-1-one
PubChem CID82052786
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name1-(2-cyclopropyl-3H-benzimidazol-5-yl)-3-piperidin-1-ylpropan-1-one
SMILESO=C(CCN1CCCCC1)c1ccc2nc(C3CC3)[nH]c2c1
InChIInChI=1S/C18H23N3O/c22-17(8-11-21-9-2-1-3-10-21)14-6-7-15-16(12-14)20-18(19-15)13-4-5-13/h6-7,12-13H,1-5,8-11H2,(H,19,20)
InChIKeyQRKFOVIKEKFBNP-UHFFFAOYSA-N
XLogP3.50
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methyl-3H-benzimidazol-5-yl)-3-pyrrolidin-1-ylpropan-1-one
CID 82052621
4-(2-cyclopropyl-3H-benzimidazol-5-yl)-4-oxobutanoic acid
CID 82052773
1-(2-propan-2-yl-3H-benzimidazol-5-yl)-3-pyrrolidin-1-ylpropan-1-one
CID 82052731
2-cyclohexylsulfanyl-1-(2-cyclopropyl-3H-benzimidazol-5-yl)ethanone
CID 82052807
1-(2-cyclopentyl-3H-benzimidazol-5-yl)propan-1-one
CID 82497253
2-cyclopentyl-3H-benzimidazole-5-carboxylic acid
CID 43168815
1-(2-cyclopropyl-3H-benzimidazol-5-yl)-3-propan-2-ylsulfanylpropan-1-one
CID 82052784
1-(2-cyclopentyl-3H-benzimidazol-5-yl)ethanone
CID 82494798
3-(azepan-1-yl)-1-[4-[3-(azepan-1-yl)propanoyl]phenyl]propan-1-one;dihydrochloride
CID 52997576
1-(3,4-dimethylphenyl)-4-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]butane-1,4-dione
CID 108733616
[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-piperidin-1-ylmethanone
CID 1452977
1-isoquinolin-7-yl-3-piperidin-1-ylpropan-1-one
CID 58514088

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-3H-benzimidazol-5-yl)-3-piperidin-1-ylpropan-1-one?
The IUPAC name of 1-(2-cyclopropyl-3H-benzimidazol-5-yl)-3-piperidin-1-ylpropan-1-one (CID 82052786) is 1-(2-cyclopropyl-3H-benzimidazol-5-yl)-3-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 1-(2-cyclopropyl-3H-benzimidazol-5-yl)-3-piperidin-1-ylpropan-1-one?
The canonical SMILES for 1-(2-cyclopropyl-3H-benzimidazol-5-yl)-3-piperidin-1-ylpropan-1-one is O=C(CCN1CCCCC1)c1ccc2nc(C3CC3)[nH]c2c1.
What is the InChIKey of 1-(2-cyclopropyl-3H-benzimidazol-5-yl)-3-piperidin-1-ylpropan-1-one?
The InChIKey is QRKFOVIKEKFBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c22-17(8-11-21-9-2-1-3-10-21)14-6-7-15-16(12-14)20-18(19-15)13-4-5-13/h6-7,12-13H,1-5,8-11H2,(H,19,20).
What are the key properties of 1-(2-cyclopropyl-3H-benzimidazol-5-yl)-3-piperidin-1-ylpropan-1-one?
1-(2-cyclopropyl-3H-benzimidazol-5-yl)-3-piperidin-1-ylpropan-1-one has a molecular weight of 297.40 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-3H-benzimidazol-5-yl)-3-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 82052786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).