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

C22H25N3O — CID 56848967

IUPAC[2-methyl-1-[(3-methylphenyl)methyl]benzimidazol-5-yl]-piperidin-1-ylmethanone
SMILESCc1cccc(Cn2c(C)nc3cc(C(=O)N4CCCCC4)ccc32)c1
InChIInChI=1S/C22H25N3O/c1-16-7-6-8-18(13-16)15-25-17(2)23-20-14-19(9-10-21(20)25)22(26)24-11-4-3-5-12-24/h6-10,13-14H,3-5,11-12,15H2,1-2H3
InChIKeyFWLBCCWBWAZRLY-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.33
Rot. Bonds3

About [2-methyl-1-[(3-methylphenyl)methyl]benzimidazol-5-yl]-piperidin-1-ylmethanone

[2-methyl-1-[(3-methylphenyl)methyl]benzimidazol-5-yl]-piperidin-1-ylmethanone (PubChem CID 56848967) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is [2-methyl-1-[(3-methylphenyl)methyl]benzimidazol-5-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-methyl-1-[(3-methylphenyl)methyl]benzimidazol-5-yl]-piperidin-1-ylmethanone
PubChem CID56848967
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name[2-methyl-1-[(3-methylphenyl)methyl]benzimidazol-5-yl]-piperidin-1-ylmethanone
SMILESCc1cccc(Cn2c(C)nc3cc(C(=O)N4CCCCC4)ccc32)c1
InChIInChI=1S/C22H25N3O/c1-16-7-6-8-18(13-16)15-25-17(2)23-20-14-19(9-10-21(20)25)22(26)24-11-4-3-5-12-24/h6-10,13-14H,3-5,11-12,15H2,1-2H3
InChIKeyFWLBCCWBWAZRLY-UHFFFAOYSA-N
XLogP4.33
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-1-[(3-methylphenyl)methyl]benzimidazol-5-yl]-piperidin-1-ylmethanone?
The IUPAC name of [2-methyl-1-[(3-methylphenyl)methyl]benzimidazol-5-yl]-piperidin-1-ylmethanone (CID 56848967) is [2-methyl-1-[(3-methylphenyl)methyl]benzimidazol-5-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-methyl-1-[(3-methylphenyl)methyl]benzimidazol-5-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-methyl-1-[(3-methylphenyl)methyl]benzimidazol-5-yl]-piperidin-1-ylmethanone is Cc1cccc(Cn2c(C)nc3cc(C(=O)N4CCCCC4)ccc32)c1.
What is the InChIKey of [2-methyl-1-[(3-methylphenyl)methyl]benzimidazol-5-yl]-piperidin-1-ylmethanone?
The InChIKey is FWLBCCWBWAZRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-16-7-6-8-18(13-16)15-25-17(2)23-20-14-19(9-10-21(20)25)22(26)24-11-4-3-5-12-24/h6-10,13-14H,3-5,11-12,15H2,1-2H3.
What are the key properties of [2-methyl-1-[(3-methylphenyl)methyl]benzimidazol-5-yl]-piperidin-1-ylmethanone?
[2-methyl-1-[(3-methylphenyl)methyl]benzimidazol-5-yl]-piperidin-1-ylmethanone has a molecular weight of 347.46 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-1-[(3-methylphenyl)methyl]benzimidazol-5-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 56848967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).