(3,5-dimethylpiperidin-1-yl)-[1-(3-methylphenyl)benzimidazol-5-yl]methanone

C22H25N3O — CID 71307852

IUPAC(3,5-dimethylpiperidin-1-yl)-[1-(3-methylphenyl)benzimidazol-5-yl]methanone
SMILESCc1cccc(-n2cnc3cc(C(=O)N4CC(C)CC(C)C4)ccc32)c1
InChIInChI=1S/C22H25N3O/c1-15-5-4-6-19(10-15)25-14-23-20-11-18(7-8-21(20)25)22(26)24-12-16(2)9-17(3)13-24/h4-8,10-11,14,16-17H,9,12-13H2,1-3H3
InChIKeyJIFDPAGRZDPKBN-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.45
Rot. Bonds2

About (3,5-dimethylpiperidin-1-yl)-[1-(3-methylphenyl)benzimidazol-5-yl]methanone

(3,5-dimethylpiperidin-1-yl)-[1-(3-methylphenyl)benzimidazol-5-yl]methanone (PubChem CID 71307852) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is (3,5-dimethylpiperidin-1-yl)-[1-(3-methylphenyl)benzimidazol-5-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethylpiperidin-1-yl)-[1-(3-methylphenyl)benzimidazol-5-yl]methanone
PubChem CID71307852
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name(3,5-dimethylpiperidin-1-yl)-[1-(3-methylphenyl)benzimidazol-5-yl]methanone
SMILESCc1cccc(-n2cnc3cc(C(=O)N4CC(C)CC(C)C4)ccc32)c1
InChIInChI=1S/C22H25N3O/c1-15-5-4-6-19(10-15)25-14-23-20-11-18(7-8-21(20)25)22(26)24-12-16(2)9-17(3)13-24/h4-8,10-11,14,16-17H,9,12-13H2,1-3H3
InChIKeyJIFDPAGRZDPKBN-UHFFFAOYSA-N
XLogP4.45
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpiperidin-1-yl)-[1-(3-methylphenyl)benzimidazol-5-yl]methanone?
The IUPAC name of (3,5-dimethylpiperidin-1-yl)-[1-(3-methylphenyl)benzimidazol-5-yl]methanone (CID 71307852) is (3,5-dimethylpiperidin-1-yl)-[1-(3-methylphenyl)benzimidazol-5-yl]methanone.
What is the SMILES notation for (3,5-dimethylpiperidin-1-yl)-[1-(3-methylphenyl)benzimidazol-5-yl]methanone?
The canonical SMILES for (3,5-dimethylpiperidin-1-yl)-[1-(3-methylphenyl)benzimidazol-5-yl]methanone is Cc1cccc(-n2cnc3cc(C(=O)N4CC(C)CC(C)C4)ccc32)c1.
What is the InChIKey of (3,5-dimethylpiperidin-1-yl)-[1-(3-methylphenyl)benzimidazol-5-yl]methanone?
The InChIKey is JIFDPAGRZDPKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-15-5-4-6-19(10-15)25-14-23-20-11-18(7-8-21(20)25)22(26)24-12-16(2)9-17(3)13-24/h4-8,10-11,14,16-17H,9,12-13H2,1-3H3.
What are the key properties of (3,5-dimethylpiperidin-1-yl)-[1-(3-methylphenyl)benzimidazol-5-yl]methanone?
(3,5-dimethylpiperidin-1-yl)-[1-(3-methylphenyl)benzimidazol-5-yl]methanone has a molecular weight of 347.46 g/mol, XLogP of 4.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpiperidin-1-yl)-[1-(3-methylphenyl)benzimidazol-5-yl]methanone is sourced from PubChem (CID 71307852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).