N-[[1-[4-(3,5-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]-2-methylpropanamide

C24H31N3O2 — CID 17006302

IUPACN-[[1-[4-(3,5-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]-2-methylpropanamide
SMILESCc1cc(C)cc(OCCCCn2c(CNC(=O)C(C)C)nc3ccccc32)c1
InChIInChI=1S/C24H31N3O2/c1-17(2)24(28)25-16-23-26-21-9-5-6-10-22(21)27(23)11-7-8-12-29-20-14-18(3)13-19(4)15-20/h5-6,9-10,13-15,17H,7-8,11-12,16H2,1-4H3,(H,25,28)
InChIKeyXPPXQRFZTSOUOX-UHFFFAOYSA-N
MW393.53 g/mol
LogP4.78
Rot. Bonds9

About N-[[1-[4-(3,5-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]-2-methylpropanamide

N-[[1-[4-(3,5-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]-2-methylpropanamide (PubChem CID 17006302) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is N-[[1-[4-(3,5-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[[1-[4-(3,5-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]-2-methylpropanamide
PubChem CID17006302
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC NameN-[[1-[4-(3,5-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]-2-methylpropanamide
SMILESCc1cc(C)cc(OCCCCn2c(CNC(=O)C(C)C)nc3ccccc32)c1
InChIInChI=1S/C24H31N3O2/c1-17(2)24(28)25-16-23-26-21-9-5-6-10-22(21)27(23)11-7-8-12-29-20-14-18(3)13-19(4)15-20/h5-6,9-10,13-15,17H,7-8,11-12,16H2,1-4H3,(H,25,28)
InChIKeyXPPXQRFZTSOUOX-UHFFFAOYSA-N
XLogP4.78
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 54.78
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

2-methyl-N-[[1-(3-phenoxypropyl)benzimidazol-2-yl]methyl]propanamide
CID 17006257
N-[[1-[4-(3,5-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]-3-phenylpropanamide
CID 16970706
N-[[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]methyl]acetamide
CID 17005993
N-[[1-[4-(3,5-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]-2-methoxybenzamide
CID 17007684
N-[[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]methyl]-3-methylbenzamide
CID 17007335
N-[2-[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide
CID 16979156
2-methyl-N-[3-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]propanamide
CID 16980848
N-[5-[1-[4-(4-chloro-3,5-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]-2-methylpropanamide
CID 16988779
3-methyl-N-[[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
CID 17007362
2-methyl-N-[[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
CID 17006889
N-[2-[1-[4-(3,5-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide
CID 16976624
2-ethyl-N-[[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]butanamide
CID 17006406

Frequently Asked Questions

What is the IUPAC name of N-[[1-[4-(3,5-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]-2-methylpropanamide?
The IUPAC name of N-[[1-[4-(3,5-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]-2-methylpropanamide (CID 17006302) is N-[[1-[4-(3,5-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]-2-methylpropanamide.
What is the SMILES notation for N-[[1-[4-(3,5-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]-2-methylpropanamide?
The canonical SMILES for N-[[1-[4-(3,5-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]-2-methylpropanamide is Cc1cc(C)cc(OCCCCn2c(CNC(=O)C(C)C)nc3ccccc32)c1.
What is the InChIKey of N-[[1-[4-(3,5-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]-2-methylpropanamide?
The InChIKey is XPPXQRFZTSOUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-17(2)24(28)25-16-23-26-21-9-5-6-10-22(21)27(23)11-7-8-12-29-20-14-18(3)13-19(4)15-20/h5-6,9-10,13-15,17H,7-8,11-12,16H2,1-4H3,(H,25,28).
What are the key properties of N-[[1-[4-(3,5-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]-2-methylpropanamide?
N-[[1-[4-(3,5-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]-2-methylpropanamide has a molecular weight of 393.53 g/mol, XLogP of 4.78, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[4-(3,5-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]-2-methylpropanamide is sourced from PubChem (CID 17006302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).