N-[[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]-2,2-dimethylpropanamide

C21H25N3O2 — CID 16969493

IUPACN-[[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]-2,2-dimethylpropanamide
SMILESCOc1ccccc1Cn1c(CNC(=O)C(C)(C)C)nc2ccccc21
InChIInChI=1S/C21H25N3O2/c1-21(2,3)20(25)22-13-19-23-16-10-6-7-11-17(16)24(19)14-15-9-5-8-12-18(15)26-4/h5-12H,13-14H2,1-4H3,(H,22,25)
InChIKeyWHYJFCXBGMWDNK-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.76
Rot. Bonds5

About N-[[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]-2,2-dimethylpropanamide

N-[[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]-2,2-dimethylpropanamide (PubChem CID 16969493) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]-2,2-dimethylpropanamide
PubChem CID16969493
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-[[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]-2,2-dimethylpropanamide
SMILESCOc1ccccc1Cn1c(CNC(=O)C(C)(C)C)nc2ccccc21
InChIInChI=1S/C21H25N3O2/c1-21(2,3)20(25)22-13-19-23-16-10-6-7-11-17(16)24(19)14-15-9-5-8-12-18(15)26-4/h5-12H,13-14H2,1-4H3,(H,22,25)
InChIKeyWHYJFCXBGMWDNK-UHFFFAOYSA-N
XLogP3.76
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]propanamide
CID 17006062
N-[[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide
CID 16968443
N-[5-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]pentyl]-2-methylpropanamide
CID 16988661
2,2-dimethyl-N-[[1-(2-phenylethyl)benzimidazol-2-yl]methyl]propanamide
CID 16969497
N-[2-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 16975906
2,2-dimethyl-N-[[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]methyl]propanamide
CID 16969528
N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide
CID 3160753
4-bromo-N-[2-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977471
N-[[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2,2-dimethylpropanamide
CID 16969503
N-[2-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16975472
N-[[1-[2-(diethylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-2,2-dimethylpropanamide
CID 16969582
4-methoxy-N-[5-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide
CID 16991253

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]-2,2-dimethylpropanamide (CID 16969493) is N-[[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]-2,2-dimethylpropanamide is COc1ccccc1Cn1c(CNC(=O)C(C)(C)C)nc2ccccc21.
What is the InChIKey of N-[[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]-2,2-dimethylpropanamide?
The InChIKey is WHYJFCXBGMWDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-21(2,3)20(25)22-13-19-23-16-10-6-7-11-17(16)24(19)14-15-9-5-8-12-18(15)26-4/h5-12H,13-14H2,1-4H3,(H,22,25).
What are the key properties of N-[[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]-2,2-dimethylpropanamide?
N-[[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]-2,2-dimethylpropanamide has a molecular weight of 351.45 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 16969493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).