N-[2-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide

C21H25N3O — CID 3160767

IUPACN-[2-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide
SMILESCC(=O)NCCc1nc2ccccc2n1Cc1ccc(C(C)C)cc1
InChIInChI=1S/C21H25N3O/c1-15(2)18-10-8-17(9-11-18)14-24-20-7-5-4-6-19(20)23-21(24)12-13-22-16(3)25/h4-11,15H,12-14H2,1-3H3,(H,22,25)
InChIKeyVLJWUPFUQDYBCW-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.89
Rot. Bonds6

About N-[2-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide

N-[2-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide (PubChem CID 3160767) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is N-[2-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide
PubChem CID3160767
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC NameN-[2-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide
SMILESCC(=O)NCCc1nc2ccccc2n1Cc1ccc(C(C)C)cc1
InChIInChI=1S/C21H25N3O/c1-15(2)18-10-8-17(9-11-18)14-24-20-7-5-4-6-19(20)23-21(24)12-13-22-16(3)25/h4-11,15H,12-14H2,1-3H3,(H,22,25)
InChIKeyVLJWUPFUQDYBCW-UHFFFAOYSA-N
XLogP3.89
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide?
The IUPAC name of N-[2-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide (CID 3160767) is N-[2-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide is CC(=O)NCCc1nc2ccccc2n1Cc1ccc(C(C)C)cc1.
What is the InChIKey of N-[2-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide?
The InChIKey is VLJWUPFUQDYBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-15(2)18-10-8-17(9-11-18)14-24-20-7-5-4-6-19(20)23-21(24)12-13-22-16(3)25/h4-11,15H,12-14H2,1-3H3,(H,22,25).
What are the key properties of N-[2-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide?
N-[2-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide has a molecular weight of 335.45 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide is sourced from PubChem (CID 3160767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).