3-[2-(1H-benzimidazol-2-yl)ethyl-methylamino]-N-(2,5-dimethylphenyl)propanamide

C21H26N4O — CID 91829450

IUPAC3-[2-(1H-benzimidazol-2-yl)ethyl-methylamino]-N-(2,5-dimethylphenyl)propanamide
SMILESCc1ccc(C)c(NC(=O)CCN(C)CCc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C21H26N4O/c1-15-8-9-16(2)19(14-15)24-21(26)11-13-25(3)12-10-20-22-17-6-4-5-7-18(17)23-20/h4-9,14H,10-13H2,1-3H3,(H,22,23)(H,24,26)
InChIKeyDVYPRSKUDQZOQQ-UHFFFAOYSA-N
MW350.47 g/mol
LogP3.68
Rot. Bonds7

About 3-[2-(1H-benzimidazol-2-yl)ethyl-methylamino]-N-(2,5-dimethylphenyl)propanamide

3-[2-(1H-benzimidazol-2-yl)ethyl-methylamino]-N-(2,5-dimethylphenyl)propanamide (PubChem CID 91829450) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is 3-[2-(1H-benzimidazol-2-yl)ethyl-methylamino]-N-(2,5-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-[2-(1H-benzimidazol-2-yl)ethyl-methylamino]-N-(2,5-dimethylphenyl)propanamide
PubChem CID91829450
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name3-[2-(1H-benzimidazol-2-yl)ethyl-methylamino]-N-(2,5-dimethylphenyl)propanamide
SMILESCc1ccc(C)c(NC(=O)CCN(C)CCc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C21H26N4O/c1-15-8-9-16(2)19(14-15)24-21(26)11-13-25(3)12-10-20-22-17-6-4-5-7-18(17)23-20/h4-9,14H,10-13H2,1-3H3,(H,22,23)(H,24,26)
InChIKeyDVYPRSKUDQZOQQ-UHFFFAOYSA-N
XLogP3.68
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dimethylphenyl)-3-(2-propyl-3H-benzimidazol-5-yl)propanamide
CID 53131255
3-[benzyl(methyl)amino]-N-(2,5-dimethylphenyl)propanamide;oxalic acid
CID 171154393
3-[butyl(methyl)amino]-N-(2,5-dimethylphenyl)propanamide;hydrochloride
CID 2902080
N-(2-acetamido-4,5-difluorophenyl)-3-(1H-benzimidazol-2-yl)propanamide
CID 167959387
N-(1H-benzimidazol-2-ylmethyl)-4-(2,5-dimethylphenyl)-4-oxobutanamide
CID 18105244
N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]butanamide;hydrochloride
CID 163329469
3-(1H-benzimidazol-2-yl)-N-[2-methyl-5-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]propanamide
CID 35021005
3-(1H-benzimidazol-2-yl)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]propanamide
CID 35955632
3-(1H-benzimidazol-2-yl)-N-(2,4-difluorophenyl)propanamide
CID 27449333
5-(1,3-benzothiazol-2-yl)-N-(2,5-dimethylphenyl)pentanamide
CID 40710369
3-(1H-benzimidazol-2-yl)-N-[2-methyl-3-(methylsulfanylmethyl)phenyl]propanamide
CID 56791675
N-(3-chloro-2-methylphenyl)-3-(6-methyl-1H-benzimidazol-2-yl)propanamide
CID 7450193

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1H-benzimidazol-2-yl)ethyl-methylamino]-N-(2,5-dimethylphenyl)propanamide?
The IUPAC name of 3-[2-(1H-benzimidazol-2-yl)ethyl-methylamino]-N-(2,5-dimethylphenyl)propanamide (CID 91829450) is 3-[2-(1H-benzimidazol-2-yl)ethyl-methylamino]-N-(2,5-dimethylphenyl)propanamide.
What is the SMILES notation for 3-[2-(1H-benzimidazol-2-yl)ethyl-methylamino]-N-(2,5-dimethylphenyl)propanamide?
The canonical SMILES for 3-[2-(1H-benzimidazol-2-yl)ethyl-methylamino]-N-(2,5-dimethylphenyl)propanamide is Cc1ccc(C)c(NC(=O)CCN(C)CCc2nc3ccccc3[nH]2)c1.
What is the InChIKey of 3-[2-(1H-benzimidazol-2-yl)ethyl-methylamino]-N-(2,5-dimethylphenyl)propanamide?
The InChIKey is DVYPRSKUDQZOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-15-8-9-16(2)19(14-15)24-21(26)11-13-25(3)12-10-20-22-17-6-4-5-7-18(17)23-20/h4-9,14H,10-13H2,1-3H3,(H,22,23)(H,24,26).
What are the key properties of 3-[2-(1H-benzimidazol-2-yl)ethyl-methylamino]-N-(2,5-dimethylphenyl)propanamide?
3-[2-(1H-benzimidazol-2-yl)ethyl-methylamino]-N-(2,5-dimethylphenyl)propanamide has a molecular weight of 350.47 g/mol, XLogP of 3.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1H-benzimidazol-2-yl)ethyl-methylamino]-N-(2,5-dimethylphenyl)propanamide is sourced from PubChem (CID 91829450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).