2-methoxy-N-[[1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide

C28H31N3O3 — CID 17007646

IUPAC2-methoxy-N-[[1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide
SMILESCOc1ccccc1C(=O)NCc1nc2ccccc2n1CCCOc1ccccc1C(C)C
InChIInChI=1S/C28H31N3O3/c1-20(2)21-11-4-9-16-26(21)34-18-10-17-31-24-14-7-6-13-23(24)30-27(31)19-29-28(32)22-12-5-8-15-25(22)33-3/h4-9,11-16,20H,10,17-19H2,1-3H3,(H,29,32)
InChIKeyGPIJRGNEXAOCFC-UHFFFAOYSA-N
MW457.57 g/mol
LogP5.57
Rot. Bonds10

About 2-methoxy-N-[[1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide

2-methoxy-N-[[1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide (PubChem CID 17007646) has the molecular formula C28H31N3O3 and a molecular weight of 457.57 g/mol. Its IUPAC name is 2-methoxy-N-[[1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[[1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide
PubChem CID17007646
Molecular FormulaC28H31N3O3
Molecular Weight457.57 g/mol
Exact Mass457.24
IUPAC Name2-methoxy-N-[[1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide
SMILESCOc1ccccc1C(=O)NCc1nc2ccccc2n1CCCOc1ccccc1C(C)C
InChIInChI=1S/C28H31N3O3/c1-20(2)21-11-4-9-16-26(21)34-18-10-17-31-24-14-7-6-13-23(24)30-27(31)19-29-28(32)22-12-5-8-15-25(22)33-3/h4-9,11-16,20H,10,17-19H2,1-3H3,(H,29,32)
InChIKeyGPIJRGNEXAOCFC-UHFFFAOYSA-N
XLogP5.57
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.57
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-[[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
CID 17007837
2-fluoro-N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide
CID 17007782
2-methoxy-N-[[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
CID 17007722
2-methyl-N-[[1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide
CID 17006853
N-[[1-[4-(3,5-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]-2-methoxybenzamide
CID 17007684
2-methoxy-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide
CID 17007570
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methoxybenzamide
CID 17007568
N-[[1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]methyl]prop-2-enamide
CID 16972273
N-[[1-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]methyl]-2-methoxybenzamide
CID 17007688
2-fluoro-N-[[1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide
CID 17007807
2-chloro-N-[2-[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
CID 16976138
2-ethyl-N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]butanamide
CID 17006400

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide?
The IUPAC name of 2-methoxy-N-[[1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide (CID 17007646) is 2-methoxy-N-[[1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[[1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide?
The canonical SMILES for 2-methoxy-N-[[1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide is COc1ccccc1C(=O)NCc1nc2ccccc2n1CCCOc1ccccc1C(C)C.
What is the InChIKey of 2-methoxy-N-[[1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide?
The InChIKey is GPIJRGNEXAOCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O3/c1-20(2)21-11-4-9-16-26(21)34-18-10-17-31-24-14-7-6-13-23(24)30-27(31)19-29-28(32)22-12-5-8-15-25(22)33-3/h4-9,11-16,20H,10,17-19H2,1-3H3,(H,29,32).
What are the key properties of 2-methoxy-N-[[1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide?
2-methoxy-N-[[1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide has a molecular weight of 457.57 g/mol, XLogP of 5.57, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide is sourced from PubChem (CID 17007646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).