N-(2,5-dimethylphenyl)-3-(2-propyl-3H-benzimidazol-5-yl)propanamide

C21H25N3O — CID 53131255

IUPACN-(2,5-dimethylphenyl)-3-(2-propyl-3H-benzimidazol-5-yl)propanamide
SMILESCCCc1nc2ccc(CCC(=O)Nc3cc(C)ccc3C)cc2[nH]1
InChIInChI=1S/C21H25N3O/c1-4-5-20-22-17-10-8-16(13-19(17)23-20)9-11-21(25)24-18-12-14(2)6-7-15(18)3/h6-8,10,12-13H,4-5,9,11H2,1-3H3,(H,22,23)(H,24,25)
InChIKeyAUYMUQLQEVGULB-UHFFFAOYSA-N
MW335.45 g/mol
LogP4.70
Rot. Bonds6

About N-(2,5-dimethylphenyl)-3-(2-propyl-3H-benzimidazol-5-yl)propanamide

N-(2,5-dimethylphenyl)-3-(2-propyl-3H-benzimidazol-5-yl)propanamide (PubChem CID 53131255) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-3-(2-propyl-3H-benzimidazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-3-(2-propyl-3H-benzimidazol-5-yl)propanamide
PubChem CID53131255
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC NameN-(2,5-dimethylphenyl)-3-(2-propyl-3H-benzimidazol-5-yl)propanamide
SMILESCCCc1nc2ccc(CCC(=O)Nc3cc(C)ccc3C)cc2[nH]1
InChIInChI=1S/C21H25N3O/c1-4-5-20-22-17-10-8-16(13-19(17)23-20)9-11-21(25)24-18-12-14(2)6-7-15(18)3/h6-8,10,12-13H,4-5,9,11H2,1-3H3,(H,22,23)(H,24,25)
InChIKeyAUYMUQLQEVGULB-UHFFFAOYSA-N
XLogP4.70
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-3-(2-propyl-3H-benzimidazol-5-yl)propanamide?
The IUPAC name of N-(2,5-dimethylphenyl)-3-(2-propyl-3H-benzimidazol-5-yl)propanamide (CID 53131255) is N-(2,5-dimethylphenyl)-3-(2-propyl-3H-benzimidazol-5-yl)propanamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-3-(2-propyl-3H-benzimidazol-5-yl)propanamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-3-(2-propyl-3H-benzimidazol-5-yl)propanamide is CCCc1nc2ccc(CCC(=O)Nc3cc(C)ccc3C)cc2[nH]1.
What is the InChIKey of N-(2,5-dimethylphenyl)-3-(2-propyl-3H-benzimidazol-5-yl)propanamide?
The InChIKey is AUYMUQLQEVGULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-4-5-20-22-17-10-8-16(13-19(17)23-20)9-11-21(25)24-18-12-14(2)6-7-15(18)3/h6-8,10,12-13H,4-5,9,11H2,1-3H3,(H,22,23)(H,24,25).
What are the key properties of N-(2,5-dimethylphenyl)-3-(2-propyl-3H-benzimidazol-5-yl)propanamide?
N-(2,5-dimethylphenyl)-3-(2-propyl-3H-benzimidazol-5-yl)propanamide has a molecular weight of 335.45 g/mol, XLogP of 4.70, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-3-(2-propyl-3H-benzimidazol-5-yl)propanamide is sourced from PubChem (CID 53131255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).