[1-(3-methylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone

C20H21N3O — CID 3243760

IUPAC[1-(3-methylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone
SMILESCc1cccc(-n2cnc3cc(C(=O)N4CCCCC4)ccc32)c1
InChIInChI=1S/C20H21N3O/c1-15-6-5-7-17(12-15)23-14-21-18-13-16(8-9-19(18)23)20(24)22-10-3-2-4-11-22/h5-9,12-14H,2-4,10-11H2,1H3
InChIKeyYQNOQZALLOQMPY-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.96
Rot. Bonds2

About [1-(3-methylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone

[1-(3-methylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone (PubChem CID 3243760) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is [1-(3-methylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(3-methylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone
PubChem CID3243760
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name[1-(3-methylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone
SMILESCc1cccc(-n2cnc3cc(C(=O)N4CCCCC4)ccc32)c1
InChIInChI=1S/C20H21N3O/c1-15-6-5-7-17(12-15)23-14-21-18-13-16(8-9-19(18)23)20(24)22-10-3-2-4-11-22/h5-9,12-14H,2-4,10-11H2,1H3
InChIKeyYQNOQZALLOQMPY-UHFFFAOYSA-N
XLogP3.96
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(3-methylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone?
The IUPAC name of [1-(3-methylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone (CID 3243760) is [1-(3-methylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-(3-methylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-(3-methylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone is Cc1cccc(-n2cnc3cc(C(=O)N4CCCCC4)ccc32)c1.
What is the InChIKey of [1-(3-methylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone?
The InChIKey is YQNOQZALLOQMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-15-6-5-7-17(12-15)23-14-21-18-13-16(8-9-19(18)23)20(24)22-10-3-2-4-11-22/h5-9,12-14H,2-4,10-11H2,1H3.
What are the key properties of [1-(3-methylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone?
[1-(3-methylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone has a molecular weight of 319.41 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 3243760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).