4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-N-[1-(2H-tetrazol-5-yl)butan-2-yl]butanamide

C16H21N7O2 — CID 166380294

IUPAC4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-N-[1-(2H-tetrazol-5-yl)butan-2-yl]butanamide
SMILESCCC(Cc1nn[nH]n1)NC(=O)CCCc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C16H21N7O2/c1-2-11(9-14-20-22-23-21-14)17-15(24)5-3-4-10-6-7-12-13(8-10)19-16(25)18-12/h6-8,11H,2-5,9H2,1H3,(H,17,24)(H2,18,19,25)(H,20,21,22,23)
InChIKeyACWZGYOOZOFAQH-UHFFFAOYSA-N
MW343.39 g/mol
LogP0.83
Rot. Bonds8

About 4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-N-[1-(2H-tetrazol-5-yl)butan-2-yl]butanamide

4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-N-[1-(2H-tetrazol-5-yl)butan-2-yl]butanamide (PubChem CID 166380294) has the molecular formula C16H21N7O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is 4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-N-[1-(2H-tetrazol-5-yl)butan-2-yl]butanamide.

Molecular Properties

Compound Name4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-N-[1-(2H-tetrazol-5-yl)butan-2-yl]butanamide
PubChem CID166380294
Molecular FormulaC16H21N7O2
Molecular Weight343.39 g/mol
Exact Mass343.18
IUPAC Name4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-N-[1-(2H-tetrazol-5-yl)butan-2-yl]butanamide
SMILESCCC(Cc1nn[nH]n1)NC(=O)CCCc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C16H21N7O2/c1-2-11(9-14-20-22-23-21-14)17-15(24)5-3-4-10-6-7-12-13(8-10)19-16(25)18-12/h6-8,11H,2-5,9H2,1H3,(H,17,24)(H2,18,19,25)(H,20,21,22,23)
InChIKeyACWZGYOOZOFAQH-UHFFFAOYSA-N
XLogP0.83
TPSA132.21 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 50.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
CID 75420030
N'-methyl-5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanehydrazide
CID 116846652
N-[(1,5-dimethylpyrrol-2-yl)methyl]-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
CID 71878303
3-[4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanoylamino]propanoic acid
CID 119350958
N-(2-amino-2-ethylbutyl)-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide;hydrochloride
CID 119642796
N-(benzimidazol-1-yl)-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
CID 166197703
methyl 3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanoate
CID 22745227
N-(2-hydroxy-2-methylpropyl)-N-methyl-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
CID 111663080
5-[4-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-4-oxobutyl]-1,3-dihydrobenzimidazol-2-one
CID 124590121
4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride
CID 119513434
4-(4-cyclopropylphenyl)-N-[1-(2H-tetrazol-5-yl)propyl]butanamide
CID 166253146
N-[2-(2,6-difluorophenyl)phenyl]-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
CID 167760177

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-N-[1-(2H-tetrazol-5-yl)butan-2-yl]butanamide?
The IUPAC name of 4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-N-[1-(2H-tetrazol-5-yl)butan-2-yl]butanamide (CID 166380294) is 4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-N-[1-(2H-tetrazol-5-yl)butan-2-yl]butanamide.
What is the SMILES notation for 4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-N-[1-(2H-tetrazol-5-yl)butan-2-yl]butanamide?
The canonical SMILES for 4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-N-[1-(2H-tetrazol-5-yl)butan-2-yl]butanamide is CCC(Cc1nn[nH]n1)NC(=O)CCCc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-N-[1-(2H-tetrazol-5-yl)butan-2-yl]butanamide?
The InChIKey is ACWZGYOOZOFAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7O2/c1-2-11(9-14-20-22-23-21-14)17-15(24)5-3-4-10-6-7-12-13(8-10)19-16(25)18-12/h6-8,11H,2-5,9H2,1H3,(H,17,24)(H2,18,19,25)(H,20,21,22,23).
What are the key properties of 4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-N-[1-(2H-tetrazol-5-yl)butan-2-yl]butanamide?
4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-N-[1-(2H-tetrazol-5-yl)butan-2-yl]butanamide has a molecular weight of 343.39 g/mol, XLogP of 0.83, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-N-[1-(2H-tetrazol-5-yl)butan-2-yl]butanamide is sourced from PubChem (CID 166380294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).