piperidin-1-yl-[1-(3-propan-2-ylphenyl)benzimidazol-5-yl]methanone

C22H25N3O — CID 71307827

IUPACpiperidin-1-yl-[1-(3-propan-2-ylphenyl)benzimidazol-5-yl]methanone
SMILESCC(C)c1cccc(-n2cnc3cc(C(=O)N4CCCCC4)ccc32)c1
InChIInChI=1S/C22H25N3O/c1-16(2)17-7-6-8-19(13-17)25-15-23-20-14-18(9-10-21(20)25)22(26)24-11-4-3-5-12-24/h6-10,13-16H,3-5,11-12H2,1-2H3
InChIKeyVCUBZJKXMJHUJZ-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.78
Rot. Bonds3

About piperidin-1-yl-[1-(3-propan-2-ylphenyl)benzimidazol-5-yl]methanone

piperidin-1-yl-[1-(3-propan-2-ylphenyl)benzimidazol-5-yl]methanone (PubChem CID 71307827) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is piperidin-1-yl-[1-(3-propan-2-ylphenyl)benzimidazol-5-yl]methanone.

Molecular Properties

Compound Namepiperidin-1-yl-[1-(3-propan-2-ylphenyl)benzimidazol-5-yl]methanone
PubChem CID71307827
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Namepiperidin-1-yl-[1-(3-propan-2-ylphenyl)benzimidazol-5-yl]methanone
SMILESCC(C)c1cccc(-n2cnc3cc(C(=O)N4CCCCC4)ccc32)c1
InChIInChI=1S/C22H25N3O/c1-16(2)17-7-6-8-19(13-17)25-15-23-20-14-18(9-10-21(20)25)22(26)24-11-4-3-5-12-24/h6-10,13-16H,3-5,11-12H2,1-2H3
InChIKeyVCUBZJKXMJHUJZ-UHFFFAOYSA-N
XLogP4.78
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 ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-[1-(3-propan-2-ylphenyl)benzimidazol-5-yl]methanone?
The IUPAC name of piperidin-1-yl-[1-(3-propan-2-ylphenyl)benzimidazol-5-yl]methanone (CID 71307827) is piperidin-1-yl-[1-(3-propan-2-ylphenyl)benzimidazol-5-yl]methanone.
What is the SMILES notation for piperidin-1-yl-[1-(3-propan-2-ylphenyl)benzimidazol-5-yl]methanone?
The canonical SMILES for piperidin-1-yl-[1-(3-propan-2-ylphenyl)benzimidazol-5-yl]methanone is CC(C)c1cccc(-n2cnc3cc(C(=O)N4CCCCC4)ccc32)c1.
What is the InChIKey of piperidin-1-yl-[1-(3-propan-2-ylphenyl)benzimidazol-5-yl]methanone?
The InChIKey is VCUBZJKXMJHUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-16(2)17-7-6-8-19(13-17)25-15-23-20-14-18(9-10-21(20)25)22(26)24-11-4-3-5-12-24/h6-10,13-16H,3-5,11-12H2,1-2H3.
What are the key properties of piperidin-1-yl-[1-(3-propan-2-ylphenyl)benzimidazol-5-yl]methanone?
piperidin-1-yl-[1-(3-propan-2-ylphenyl)benzimidazol-5-yl]methanone has a molecular weight of 347.46 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-[1-(3-propan-2-ylphenyl)benzimidazol-5-yl]methanone is sourced from PubChem (CID 71307827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).