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

C23H29N3O — CID 16968587

IUPACN-[1-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]propanamide
SMILESCCC(=O)NC(C)c1nc2ccccc2n1Cc1ccc(C(C)CC)cc1
InChIInChI=1S/C23H29N3O/c1-5-16(3)19-13-11-18(12-14-19)15-26-21-10-8-7-9-20(21)25-23(26)17(4)24-22(27)6-2/h7-14,16-17H,5-6,15H2,1-4H3,(H,24,27)
InChIKeyOHOPHTIVCJCHHH-UHFFFAOYSA-N
MW363.51 g/mol
LogP5.19
Rot. Bonds7

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

N-[1-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]propanamide (PubChem CID 16968587) has the molecular formula C23H29N3O and a molecular weight of 363.51 g/mol. Its IUPAC name is N-[1-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]propanamide.

Molecular Properties

Compound NameN-[1-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]propanamide
PubChem CID16968587
Molecular FormulaC23H29N3O
Molecular Weight363.51 g/mol
Exact Mass363.23
IUPAC NameN-[1-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]propanamide
SMILESCCC(=O)NC(C)c1nc2ccccc2n1Cc1ccc(C(C)CC)cc1
InChIInChI=1S/C23H29N3O/c1-5-16(3)19-13-11-18(12-14-19)15-26-21-10-8-7-9-20(21)25-23(26)17(4)24-22(27)6-2/h7-14,16-17H,5-6,15H2,1-4H3,(H,24,27)
InChIKeyOHOPHTIVCJCHHH-UHFFFAOYSA-N
XLogP5.19
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.51
LogP ≤ 55.19
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]-2-(2-methylphenyl)acetamide
CID 16973188
N-[(1R)-1-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]propanamide
CID 7214248
N-[1-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]-4-chlorobenzamide
CID 17009493
N-[1-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 16967495
N-[[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]methyl]propanamide
CID 17006059
N-[(1S)-1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]propanamide
CID 751204
N-[(1R)-1-(1-propylbenzimidazol-2-yl)ethyl]propanamide
CID 751155
N-[1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16967343
N-[(1R)-1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 7694098
N-[1-[1-[2-oxo-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]ethyl]propanamide
CID 17029919
2-(4-chlorophenyl)-N-[1-[1-(2-methylbutyl)benzimidazol-2-yl]ethyl]acetamide
CID 16972996
N-[1-(1-undecylbenzimidazol-2-yl)ethyl]propanamide
CID 16968572

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]propanamide?
The IUPAC name of N-[1-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]propanamide (CID 16968587) is N-[1-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]propanamide.
What is the SMILES notation for N-[1-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]propanamide?
The canonical SMILES for N-[1-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]propanamide is CCC(=O)NC(C)c1nc2ccccc2n1Cc1ccc(C(C)CC)cc1.
What is the InChIKey of N-[1-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]propanamide?
The InChIKey is OHOPHTIVCJCHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O/c1-5-16(3)19-13-11-18(12-14-19)15-26-21-10-8-7-9-20(21)25-23(26)17(4)24-22(27)6-2/h7-14,16-17H,5-6,15H2,1-4H3,(H,24,27).
What are the key properties of N-[1-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]propanamide?
N-[1-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]propanamide has a molecular weight of 363.51 g/mol, XLogP of 5.19, 7 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]propanamide is sourced from PubChem (CID 16968587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).