2-[5,6-dimethyl-1-(phenylmethoxymethyl)benzimidazol-2-yl]-N,N-dimethylpropanamide

C22H27N3O2 — CID 134961556

IUPAC2-[5,6-dimethyl-1-(phenylmethoxymethyl)benzimidazol-2-yl]-N,N-dimethylpropanamide
SMILESCc1cc2nc(C(C)C(=O)N(C)C)n(COCc3ccccc3)c2cc1C
InChIInChI=1S/C22H27N3O2/c1-15-11-19-20(12-16(15)2)25(14-27-13-18-9-7-6-8-10-18)21(23-19)17(3)22(26)24(4)5/h6-12,17H,13-14H2,1-5H3
InChIKeyPUASSDRIICGRRT-UHFFFAOYSA-N
MW365.48 g/mol
LogP4.02
Rot. Bonds6

About 2-[5,6-dimethyl-1-(phenylmethoxymethyl)benzimidazol-2-yl]-N,N-dimethylpropanamide

2-[5,6-dimethyl-1-(phenylmethoxymethyl)benzimidazol-2-yl]-N,N-dimethylpropanamide (PubChem CID 134961556) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 2-[5,6-dimethyl-1-(phenylmethoxymethyl)benzimidazol-2-yl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[5,6-dimethyl-1-(phenylmethoxymethyl)benzimidazol-2-yl]-N,N-dimethylpropanamide
PubChem CID134961556
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name2-[5,6-dimethyl-1-(phenylmethoxymethyl)benzimidazol-2-yl]-N,N-dimethylpropanamide
SMILESCc1cc2nc(C(C)C(=O)N(C)C)n(COCc3ccccc3)c2cc1C
InChIInChI=1S/C22H27N3O2/c1-15-11-19-20(12-16(15)2)25(14-27-13-18-9-7-6-8-10-18)21(23-19)17(3)22(26)24(4)5/h6-12,17H,13-14H2,1-5H3
InChIKeyPUASSDRIICGRRT-UHFFFAOYSA-N
XLogP4.02
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5,6-dimethyl-2-propan-2-ylbenzimidazol-1-yl)methyl]benzoic acid
CID 94747847
2-[2-[1-(dimethylamino)ethyl]-5,6-dimethylbenzimidazol-1-yl]acetic acid
CID 82310954
2-[5,6-dimethyl-2-(2-phenylethyl)benzimidazol-1-yl]acetic acid
CID 94748100
2-[5,6-dimethyl-2-(phenoxymethyl)benzimidazol-1-yl]propanoic acid
CID 82145263
2-[2-(difluoromethyl)-5,6-dimethylbenzimidazol-1-yl]acetic acid
CID 62337121
1-benzyl-5,6-dimethyl-2-(trifluoromethyl)benzimidazole
CID 162534871
N-(4-phenylbutan-2-yl)-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide
CID 50768186
3-[5,6-dimethyl-2-(propan-2-yloxymethyl)benzimidazol-1-yl]propanoic acid
CID 115949439
2-(5,6-dimethyl-2-propan-2-ylbenzimidazol-1-yl)ethanamine
CID 82145095
N-(4-phenylbutan-2-yl)-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324573
N-benzyl-N-methyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
CID 16996582
benzyl 1-benzyl-5-chloropyrrolo[3,2-b]pyridine-2-carboxylate
CID 118159431

Frequently Asked Questions

What is the IUPAC name of 2-[5,6-dimethyl-1-(phenylmethoxymethyl)benzimidazol-2-yl]-N,N-dimethylpropanamide?
The IUPAC name of 2-[5,6-dimethyl-1-(phenylmethoxymethyl)benzimidazol-2-yl]-N,N-dimethylpropanamide (CID 134961556) is 2-[5,6-dimethyl-1-(phenylmethoxymethyl)benzimidazol-2-yl]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[5,6-dimethyl-1-(phenylmethoxymethyl)benzimidazol-2-yl]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[5,6-dimethyl-1-(phenylmethoxymethyl)benzimidazol-2-yl]-N,N-dimethylpropanamide is Cc1cc2nc(C(C)C(=O)N(C)C)n(COCc3ccccc3)c2cc1C.
What is the InChIKey of 2-[5,6-dimethyl-1-(phenylmethoxymethyl)benzimidazol-2-yl]-N,N-dimethylpropanamide?
The InChIKey is PUASSDRIICGRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-15-11-19-20(12-16(15)2)25(14-27-13-18-9-7-6-8-10-18)21(23-19)17(3)22(26)24(4)5/h6-12,17H,13-14H2,1-5H3.
What are the key properties of 2-[5,6-dimethyl-1-(phenylmethoxymethyl)benzimidazol-2-yl]-N,N-dimethylpropanamide?
2-[5,6-dimethyl-1-(phenylmethoxymethyl)benzimidazol-2-yl]-N,N-dimethylpropanamide has a molecular weight of 365.48 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5,6-dimethyl-1-(phenylmethoxymethyl)benzimidazol-2-yl]-N,N-dimethylpropanamide is sourced from PubChem (CID 134961556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).