N-phenyl-N-propan-2-yl-2-[2-[(4-propan-2-ylphenoxy)methyl]benzimidazol-1-yl]acetamide

C28H31N3O2 — CID 16998698

IUPACN-phenyl-N-propan-2-yl-2-[2-[(4-propan-2-ylphenoxy)methyl]benzimidazol-1-yl]acetamide
SMILESCC(C)c1ccc(OCc2nc3ccccc3n2CC(=O)N(c2ccccc2)C(C)C)cc1
InChIInChI=1S/C28H31N3O2/c1-20(2)22-14-16-24(17-15-22)33-19-27-29-25-12-8-9-13-26(25)30(27)18-28(32)31(21(3)4)23-10-6-5-7-11-23/h5-17,20-21H,18-19H2,1-4H3
InChIKeyVMPDOHHRIXCMER-UHFFFAOYSA-N
MW441.58 g/mol
LogP6.18
Rot. Bonds8

About N-phenyl-N-propan-2-yl-2-[2-[(4-propan-2-ylphenoxy)methyl]benzimidazol-1-yl]acetamide

N-phenyl-N-propan-2-yl-2-[2-[(4-propan-2-ylphenoxy)methyl]benzimidazol-1-yl]acetamide (PubChem CID 16998698) has the molecular formula C28H31N3O2 and a molecular weight of 441.58 g/mol. Its IUPAC name is N-phenyl-N-propan-2-yl-2-[2-[(4-propan-2-ylphenoxy)methyl]benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-phenyl-N-propan-2-yl-2-[2-[(4-propan-2-ylphenoxy)methyl]benzimidazol-1-yl]acetamide
PubChem CID16998698
Molecular FormulaC28H31N3O2
Molecular Weight441.58 g/mol
Exact Mass441.24
IUPAC NameN-phenyl-N-propan-2-yl-2-[2-[(4-propan-2-ylphenoxy)methyl]benzimidazol-1-yl]acetamide
SMILESCC(C)c1ccc(OCc2nc3ccccc3n2CC(=O)N(c2ccccc2)C(C)C)cc1
InChIInChI=1S/C28H31N3O2/c1-20(2)22-14-16-24(17-15-22)33-19-27-29-25-12-8-9-13-26(25)30(27)18-28(32)31(21(3)4)23-10-6-5-7-11-23/h5-17,20-21H,18-19H2,1-4H3
InChIKeyVMPDOHHRIXCMER-UHFFFAOYSA-N
XLogP6.18
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.58
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-pentylbenzimidazol-1-yl)-N-phenyl-N-propan-2-ylacetamide
CID 3279039
2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-cyclopropyl-N-propan-2-ylacetamide
CID 112816966
2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-ethyl-N-phenylacetamide
CID 16997147
2-[2-[(2-methylphenyl)methyl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 16996200
N,N-bis(2-methylpropyl)-2-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]acetamide
CID 16999311
2-[2-[[(2-methoxyacetyl)amino]methyl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 17006636
1-[4-(4-chlorophenoxy)butyl]-2-[(4-propan-2-ylphenoxy)methyl]benzimidazole
CID 16998683
N-benzyl-N-methyl-2-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]acetamide
CID 16999316
2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(2-hydroxypropyl)acetamide
CID 78857564
2-[2-[1-(4-chloro-3-methylphenoxy)ethyl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 16999203
N-(3-amino-4-methylpentyl)-N-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide;dihydrochloride
CID 119658469
3,4,5-trimethoxy-N-[[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]methyl]benzamide
CID 17008651

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-propan-2-yl-2-[2-[(4-propan-2-ylphenoxy)methyl]benzimidazol-1-yl]acetamide?
The IUPAC name of N-phenyl-N-propan-2-yl-2-[2-[(4-propan-2-ylphenoxy)methyl]benzimidazol-1-yl]acetamide (CID 16998698) is N-phenyl-N-propan-2-yl-2-[2-[(4-propan-2-ylphenoxy)methyl]benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-phenyl-N-propan-2-yl-2-[2-[(4-propan-2-ylphenoxy)methyl]benzimidazol-1-yl]acetamide?
The canonical SMILES for N-phenyl-N-propan-2-yl-2-[2-[(4-propan-2-ylphenoxy)methyl]benzimidazol-1-yl]acetamide is CC(C)c1ccc(OCc2nc3ccccc3n2CC(=O)N(c2ccccc2)C(C)C)cc1.
What is the InChIKey of N-phenyl-N-propan-2-yl-2-[2-[(4-propan-2-ylphenoxy)methyl]benzimidazol-1-yl]acetamide?
The InChIKey is VMPDOHHRIXCMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O2/c1-20(2)22-14-16-24(17-15-22)33-19-27-29-25-12-8-9-13-26(25)30(27)18-28(32)31(21(3)4)23-10-6-5-7-11-23/h5-17,20-21H,18-19H2,1-4H3.
What are the key properties of N-phenyl-N-propan-2-yl-2-[2-[(4-propan-2-ylphenoxy)methyl]benzimidazol-1-yl]acetamide?
N-phenyl-N-propan-2-yl-2-[2-[(4-propan-2-ylphenoxy)methyl]benzimidazol-1-yl]acetamide has a molecular weight of 441.58 g/mol, XLogP of 6.18, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-propan-2-yl-2-[2-[(4-propan-2-ylphenoxy)methyl]benzimidazol-1-yl]acetamide is sourced from PubChem (CID 16998698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).