1-(3H-benzimidazol-5-yl)-2-piperidin-1-ylethanone

C14H17N3O — CID 82052590

IUPAC1-(3H-benzimidazol-5-yl)-2-piperidin-1-ylethanone
SMILESO=C(CN1CCCCC1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C14H17N3O/c18-14(9-17-6-2-1-3-7-17)11-4-5-12-13(8-11)16-10-15-12/h4-5,8,10H,1-3,6-7,9H2,(H,15,16)
InChIKeyCPGQHKHPXGWJES-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.23
Rot. Bonds3

About 1-(3H-benzimidazol-5-yl)-2-piperidin-1-ylethanone

1-(3H-benzimidazol-5-yl)-2-piperidin-1-ylethanone (PubChem CID 82052590) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-(3H-benzimidazol-5-yl)-2-piperidin-1-ylethanone.

Molecular Properties

Compound Name1-(3H-benzimidazol-5-yl)-2-piperidin-1-ylethanone
PubChem CID82052590
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name1-(3H-benzimidazol-5-yl)-2-piperidin-1-ylethanone
SMILESO=C(CN1CCCCC1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C14H17N3O/c18-14(9-17-6-2-1-3-7-17)11-4-5-12-13(8-11)16-10-15-12/h4-5,8,10H,1-3,6-7,9H2,(H,15,16)
InChIKeyCPGQHKHPXGWJES-UHFFFAOYSA-N
XLogP2.23
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3H-benzimidazol-5-yl)-2-piperidin-1-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3H-benzimidazol-5-yl)-2-piperazin-1-ylethanone
CID 82497581
N-piperidin-1-yl-3H-benzimidazole-5-carboxamide
CID 69436503
1-(3H-benzimidazol-5-yl)-3-sulfanylpropan-1-one
CID 116830801
1-(3H-benzimidazol-5-yl)-4-phenylbutane-1,4-dione
CID 90354958
[2-(azepan-1-yl)-2-oxoethyl] 3H-benzimidazole-5-carboxylate
CID 23744569
[(3S)-3-(azepan-1-ylmethyl)piperidin-1-yl]-(3H-benzimidazol-5-yl)methanone
CID 95339891
1-(3H-benzimidazol-5-yl)-3-chloropropan-1-one
CID 82052582
bis(3H-benzimidazol-5-yl)methanone
CID 71332789
2-(azepan-1-yl)-1-(3,4-dichlorophenyl)ethanone
CID 43219228
3-(2-pyrrolidin-1-ylacetyl)benzoic acid
CID 115039403
4-(3H-benzimidazol-5-yl)-4-oxobutanenitrile
CID 116862119
3H-benzimidazol-5-yl-(2-methylpiperidin-1-yl)methanone
CID 18847477

Frequently Asked Questions

What is the IUPAC name of 1-(3H-benzimidazol-5-yl)-2-piperidin-1-ylethanone?
The IUPAC name of 1-(3H-benzimidazol-5-yl)-2-piperidin-1-ylethanone (CID 82052590) is 1-(3H-benzimidazol-5-yl)-2-piperidin-1-ylethanone.
What is the SMILES notation for 1-(3H-benzimidazol-5-yl)-2-piperidin-1-ylethanone?
The canonical SMILES for 1-(3H-benzimidazol-5-yl)-2-piperidin-1-ylethanone is O=C(CN1CCCCC1)c1ccc2nc[nH]c2c1.
What is the InChIKey of 1-(3H-benzimidazol-5-yl)-2-piperidin-1-ylethanone?
The InChIKey is CPGQHKHPXGWJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c18-14(9-17-6-2-1-3-7-17)11-4-5-12-13(8-11)16-10-15-12/h4-5,8,10H,1-3,6-7,9H2,(H,15,16).
What are the key properties of 1-(3H-benzimidazol-5-yl)-2-piperidin-1-ylethanone?
1-(3H-benzimidazol-5-yl)-2-piperidin-1-ylethanone has a molecular weight of 243.31 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3H-benzimidazol-5-yl)-2-piperidin-1-ylethanone is sourced from PubChem (CID 82052590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).