N-(benzimidazol-1-yl)-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide

C18H17N5O2 — CID 166197703

IUPACN-(benzimidazol-1-yl)-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
SMILESO=C(CCCc1ccc2[nH]c(=O)[nH]c2c1)Nn1cnc2ccccc21
InChIInChI=1S/C18H17N5O2/c24-17(22-23-11-19-14-5-1-2-6-16(14)23)7-3-4-12-8-9-13-15(10-12)21-18(25)20-13/h1-2,5-6,8-11H,3-4,7H2,(H,22,24)(H2,20,21,25)
InChIKeyVFYDKMHVIPLMFL-UHFFFAOYSA-N
MW335.37 g/mol
LogP2.30
Rot. Bonds5

About N-(benzimidazol-1-yl)-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide

N-(benzimidazol-1-yl)-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide (PubChem CID 166197703) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is N-(benzimidazol-1-yl)-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide.

Molecular Properties

Compound NameN-(benzimidazol-1-yl)-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
PubChem CID166197703
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC NameN-(benzimidazol-1-yl)-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
SMILESO=C(CCCc1ccc2[nH]c(=O)[nH]c2c1)Nn1cnc2ccccc21
InChIInChI=1S/C18H17N5O2/c24-17(22-23-11-19-14-5-1-2-6-16(14)23)7-3-4-12-8-9-13-15(10-12)21-18(25)20-13/h1-2,5-6,8-11H,3-4,7H2,(H,22,24)(H2,20,21,25)
InChIKeyVFYDKMHVIPLMFL-UHFFFAOYSA-N
XLogP2.30
TPSA95.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanoylamino]propanoic acid
CID 119350958
N-(benzimidazol-1-yl)-3-(3-fluoro-4-methoxyphenyl)propanamide
CID 134033080
N'-methyl-5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanehydrazide
CID 116846652
N-(benzimidazol-1-yl)-3-oxobutanamide
CID 87961400
N-[2-(2,6-difluorophenyl)phenyl]-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
CID 167760177
N-(benzimidazol-1-yl)-3-phenylsulfanylpropanamide
CID 34327055
benzimidazol-1-ylcarbamic acid
CID 21218422
4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-N-[1-(2H-tetrazol-5-yl)butan-2-yl]butanamide
CID 166380294
N-[(1,5-dimethylpyrrol-2-yl)methyl]-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
CID 71878303
N-(2-aminoethyl)-2-[4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanoylamino]benzamide;hydrochloride
CID 120604115
N-(2-amino-2-ethylbutyl)-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide;hydrochloride
CID 119642796
5-(4-chlorobutyl)-1,3-dihydrobenzimidazol-2-one
CID 87983574

Frequently Asked Questions

What is the IUPAC name of N-(benzimidazol-1-yl)-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide?
The IUPAC name of N-(benzimidazol-1-yl)-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide (CID 166197703) is N-(benzimidazol-1-yl)-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide.
What is the SMILES notation for N-(benzimidazol-1-yl)-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide?
The canonical SMILES for N-(benzimidazol-1-yl)-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide is O=C(CCCc1ccc2[nH]c(=O)[nH]c2c1)Nn1cnc2ccccc21.
What is the InChIKey of N-(benzimidazol-1-yl)-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide?
The InChIKey is VFYDKMHVIPLMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c24-17(22-23-11-19-14-5-1-2-6-16(14)23)7-3-4-12-8-9-13-15(10-12)21-18(25)20-13/h1-2,5-6,8-11H,3-4,7H2,(H,22,24)(H2,20,21,25).
What are the key properties of N-(benzimidazol-1-yl)-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide?
N-(benzimidazol-1-yl)-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide has a molecular weight of 335.37 g/mol, XLogP of 2.30, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzimidazol-1-yl)-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide is sourced from PubChem (CID 166197703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).