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

C22H27N3O — CID 17006059

IUPACN-[[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]methyl]propanamide
SMILESCCC(=O)NCc1nc2ccccc2n1Cc1ccc(C(C)CC)cc1
InChIInChI=1S/C22H27N3O/c1-4-16(3)18-12-10-17(11-13-18)15-25-20-9-7-6-8-19(20)24-21(25)14-23-22(26)5-2/h6-13,16H,4-5,14-15H2,1-3H3,(H,23,26)
InChIKeyDXBWTFSTPUETKV-UHFFFAOYSA-N
MW349.48 g/mol
LogP4.62
Rot. Bonds7

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

N-[[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]methyl]propanamide (PubChem CID 17006059) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is N-[[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]methyl]propanamide.

Molecular Properties

Compound NameN-[[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]methyl]propanamide
PubChem CID17006059
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC NameN-[[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]methyl]propanamide
SMILESCCC(=O)NCc1nc2ccccc2n1Cc1ccc(C(C)CC)cc1
InChIInChI=1S/C22H27N3O/c1-4-16(3)18-12-10-17(11-13-18)15-25-20-9-7-6-8-19(20)24-21(25)14-23-22(26)5-2/h6-13,16H,4-5,14-15H2,1-3H3,(H,23,26)
InChIKeyDXBWTFSTPUETKV-UHFFFAOYSA-N
XLogP4.62
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]propanamide
CID 17006058
N-[1-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]propanamide
CID 16968587
N-[[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]methyl]-2-methoxybenzamide
CID 17007602
N-[2-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide
CID 16975173
N-[3-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]propyl]-2-phenylacetamide
CID 16984897
N-[2-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16975742
2-ethyl-N-[[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]methyl]butanamide
CID 17006384
N-[5-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]pentyl]-2-phenylacetamide
CID 16993356
N-[2-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide
CID 16978475
N-[5-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]pentyl]-2-methoxyacetamide
CID 16988334
N-[3-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]propyl]-2-(4-phenylphenyl)acetamide
CID 16985868
N-[1-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide
CID 16973188

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]methyl]propanamide?
The IUPAC name of N-[[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]methyl]propanamide (CID 17006059) is N-[[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]methyl]propanamide.
What is the SMILES notation for N-[[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]methyl]propanamide?
The canonical SMILES for N-[[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]methyl]propanamide is CCC(=O)NCc1nc2ccccc2n1Cc1ccc(C(C)CC)cc1.
What is the InChIKey of N-[[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]methyl]propanamide?
The InChIKey is DXBWTFSTPUETKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c1-4-16(3)18-12-10-17(11-13-18)15-25-20-9-7-6-8-19(20)24-21(25)14-23-22(26)5-2/h6-13,16H,4-5,14-15H2,1-3H3,(H,23,26).
What are the key properties of N-[[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]methyl]propanamide?
N-[[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]methyl]propanamide has a molecular weight of 349.48 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]methyl]propanamide is sourced from PubChem (CID 17006059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).