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

C29H33N3O — CID 16973188

IUPACN-[1-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide
SMILESCCC(C)c1ccc(Cn2c(C(C)NC(=O)Cc3ccccc3C)nc3ccccc32)cc1
InChIInChI=1S/C29H33N3O/c1-5-20(2)24-16-14-23(15-17-24)19-32-27-13-9-8-12-26(27)31-29(32)22(4)30-28(33)18-25-11-7-6-10-21(25)3/h6-17,20,22H,5,18-19H2,1-4H3,(H,30,33)
InChIKeyCSGFIAPPGIMZQC-UHFFFAOYSA-N
MW439.60 g/mol
LogP6.33
Rot. Bonds8

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

N-[1-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide (PubChem CID 16973188) has the molecular formula C29H33N3O and a molecular weight of 439.60 g/mol. Its IUPAC name is N-[1-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[1-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide
PubChem CID16973188
Molecular FormulaC29H33N3O
Molecular Weight439.60 g/mol
Exact Mass439.26
IUPAC NameN-[1-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide
SMILESCCC(C)c1ccc(Cn2c(C(C)NC(=O)Cc3ccccc3C)nc3ccccc32)cc1
InChIInChI=1S/C29H33N3O/c1-5-20(2)24-16-14-23(15-17-24)19-32-27-13-9-8-12-26(27)31-29(32)22(4)30-28(33)18-25-11-7-6-10-21(25)3/h6-17,20,22H,5,18-19H2,1-4H3,(H,30,33)
InChIKeyCSGFIAPPGIMZQC-UHFFFAOYSA-N
XLogP6.33
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.60
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]propanamide
CID 16968587
N-[1-[1-[2-(4-butan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide
CID 16973220
N-[1-[1-[4-(4-butan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide
CID 16973277
N-[1-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 16967495
N-[1-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]-4-chlorobenzamide
CID 17009493
N-[(1R)-1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 7694098
2-(2-methylphenyl)-N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]acetamide
CID 16973153
N-[[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]methyl]propanamide
CID 17006059
2-ethyl-N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]butanamide
CID 16969021
N-[(1R)-1-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]propanamide
CID 7214248
2-(2-methylphenyl)-N-[1-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]acetamide
CID 16973287
N-[1-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16972536

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide?
The IUPAC name of N-[1-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide (CID 16973188) is N-[1-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-[1-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-[1-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide is CCC(C)c1ccc(Cn2c(C(C)NC(=O)Cc3ccccc3C)nc3ccccc32)cc1.
What is the InChIKey of N-[1-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide?
The InChIKey is CSGFIAPPGIMZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O/c1-5-20(2)24-16-14-23(15-17-24)19-32-27-13-9-8-12-26(27)31-29(32)22(4)30-28(33)18-25-11-7-6-10-21(25)3/h6-17,20,22H,5,18-19H2,1-4H3,(H,30,33).
What are the key properties of N-[1-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide?
N-[1-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide has a molecular weight of 439.60 g/mol, XLogP of 6.33, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 16973188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).