N-[[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]methyl]butanamide

C23H29N3O2 — CID 16968918

IUPACN-[[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]methyl]butanamide
SMILESCCCC(=O)NCc1nc2ccccc2n1CCCOc1c(C)cccc1C
InChIInChI=1S/C23H29N3O2/c1-4-9-22(27)24-16-21-25-19-12-5-6-13-20(19)26(21)14-8-15-28-23-17(2)10-7-11-18(23)3/h5-7,10-13H,4,8-9,14-16H2,1-3H3,(H,24,27)
InChIKeyLBUNCMUXGWIDKI-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.54
Rot. Bonds9

About N-[[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]methyl]butanamide

N-[[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]methyl]butanamide (PubChem CID 16968918) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-[[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]methyl]butanamide.

Molecular Properties

Compound NameN-[[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]methyl]butanamide
PubChem CID16968918
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-[[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]methyl]butanamide
SMILESCCCC(=O)NCc1nc2ccccc2n1CCCOc1c(C)cccc1C
InChIInChI=1S/C23H29N3O2/c1-4-9-22(27)24-16-21-25-19-12-5-6-13-20(19)26(21)14-8-15-28-23-17(2)10-7-11-18(23)3/h5-7,10-13H,4,8-9,14-16H2,1-3H3,(H,24,27)
InChIKeyLBUNCMUXGWIDKI-UHFFFAOYSA-N
XLogP4.54
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[1-[3-(2-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]butanamide
CID 16968923
N-[[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]-2-methylbenzamide
CID 17006880
N-[(1-hexadecylbenzimidazol-2-yl)methyl]butanamide
CID 16968866
N-[[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide
CID 16966576
N-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]butanamide
CID 16968967
N-[[1-[4-(4-chloro-3-methylphenoxy)butyl]benzimidazol-2-yl]methyl]butanamide
CID 16968960
N-[5-[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]propanamide
CID 16988051
4-chloro-N-[[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
CID 17009086
N-[3-[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]propyl]-2-methylpropanamide
CID 16980865
N-[3-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]propanamide
CID 16980760
N-[5-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]butanamide
CID 16988210
N-[5-[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2-methylpropanamide
CID 16988699

Frequently Asked Questions

What is the IUPAC name of N-[[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]methyl]butanamide?
The IUPAC name of N-[[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]methyl]butanamide (CID 16968918) is N-[[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]methyl]butanamide.
What is the SMILES notation for N-[[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]methyl]butanamide?
The canonical SMILES for N-[[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]methyl]butanamide is CCCC(=O)NCc1nc2ccccc2n1CCCOc1c(C)cccc1C.
What is the InChIKey of N-[[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]methyl]butanamide?
The InChIKey is LBUNCMUXGWIDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-4-9-22(27)24-16-21-25-19-12-5-6-13-20(19)26(21)14-8-15-28-23-17(2)10-7-11-18(23)3/h5-7,10-13H,4,8-9,14-16H2,1-3H3,(H,24,27).
What are the key properties of N-[[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]methyl]butanamide?
N-[[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]methyl]butanamide has a molecular weight of 379.50 g/mol, XLogP of 4.54, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]methyl]butanamide is sourced from PubChem (CID 16968918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).