N-[1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide

C23H29N3O — CID 3336029

IUPACN-[1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide
SMILESCc1ccc(C)c(Cn2c(C(C)NC(=O)C(C)(C)C)nc3ccccc32)c1
InChIInChI=1S/C23H29N3O/c1-15-11-12-16(2)18(13-15)14-26-20-10-8-7-9-19(20)25-21(26)17(3)24-22(27)23(4,5)6/h7-13,17H,14H2,1-6H3,(H,24,27)
InChIKeyTWZGQQJPGHVGGQ-UHFFFAOYSA-N
MW363.51 g/mol
LogP4.92
Rot. Bonds4

About N-[1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide

N-[1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide (PubChem CID 3336029) has the molecular formula C23H29N3O and a molecular weight of 363.51 g/mol. Its IUPAC name is N-[1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide
PubChem CID3336029
Molecular FormulaC23H29N3O
Molecular Weight363.51 g/mol
Exact Mass363.23
IUPAC NameN-[1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide
SMILESCc1ccc(C)c(Cn2c(C(C)NC(=O)C(C)(C)C)nc3ccccc32)c1
InChIInChI=1S/C23H29N3O/c1-15-11-12-16(2)18(13-15)14-26-20-10-8-7-9-19(20)25-21(26)17(3)24-22(27)23(4,5)6/h7-13,17H,14H2,1-6H3,(H,24,27)
InChIKeyTWZGQQJPGHVGGQ-UHFFFAOYSA-N
XLogP4.92
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-N-[1-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethyl]propanamide
CID 16969327
N-[(1S)-1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-methoxyacetamide
CID 7025717
N-[1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]ethyl]-3-phenylpropanamide
CID 16970447
N-[1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide
CID 4753702
N-[(1R)-1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]ethyl]thiophene-2-carboxamide
CID 7025718
N-[1-[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide
CID 16969352
N-[5-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]pentyl]-2,2-dimethylpropanamide
CID 16988805
3-methyl-N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16967026
2-ethyl-N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]butanamide
CID 16969021
2,2-dimethyl-N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 751106
N-[1-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16972530
N-[(1R)-1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 7694098

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide (CID 3336029) is N-[1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide is Cc1ccc(C)c(Cn2c(C(C)NC(=O)C(C)(C)C)nc3ccccc32)c1.
What is the InChIKey of N-[1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide?
The InChIKey is TWZGQQJPGHVGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O/c1-15-11-12-16(2)18(13-15)14-26-20-10-8-7-9-19(20)25-21(26)17(3)24-22(27)23(4,5)6/h7-13,17H,14H2,1-6H3,(H,24,27).
What are the key properties of N-[1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide?
N-[1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide has a molecular weight of 363.51 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 3336029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).