2-(2-oxo-3H-benzimidazol-1-yl)-N-[1-(2H-tetrazol-5-yl)butyl]acetamide

C14H17N7O2 — CID 71920445

IUPAC2-(2-oxo-3H-benzimidazol-1-yl)-N-[1-(2H-tetrazol-5-yl)butyl]acetamide
SMILESCCCC(NC(=O)Cn1c(=O)[nH]c2ccccc21)c1nn[nH]n1
InChIInChI=1S/C14H17N7O2/c1-2-5-10(13-17-19-20-18-13)15-12(22)8-21-11-7-4-3-6-9(11)16-14(21)23/h3-4,6-7,10H,2,5,8H2,1H3,(H,15,22)(H,16,23)(H,17,18,19,20)
InChIKeySQNCCRITWAJAFU-UHFFFAOYSA-N
MW315.34 g/mol
LogP0.50
Rot. Bonds6

About 2-(2-oxo-3H-benzimidazol-1-yl)-N-[1-(2H-tetrazol-5-yl)butyl]acetamide

2-(2-oxo-3H-benzimidazol-1-yl)-N-[1-(2H-tetrazol-5-yl)butyl]acetamide (PubChem CID 71920445) has the molecular formula C14H17N7O2 and a molecular weight of 315.34 g/mol. Its IUPAC name is 2-(2-oxo-3H-benzimidazol-1-yl)-N-[1-(2H-tetrazol-5-yl)butyl]acetamide.

Molecular Properties

Compound Name2-(2-oxo-3H-benzimidazol-1-yl)-N-[1-(2H-tetrazol-5-yl)butyl]acetamide
PubChem CID71920445
Molecular FormulaC14H17N7O2
Molecular Weight315.34 g/mol
Exact Mass315.14
IUPAC Name2-(2-oxo-3H-benzimidazol-1-yl)-N-[1-(2H-tetrazol-5-yl)butyl]acetamide
SMILESCCCC(NC(=O)Cn1c(=O)[nH]c2ccccc21)c1nn[nH]n1
InChIInChI=1S/C14H17N7O2/c1-2-5-10(13-17-19-20-18-13)15-12(22)8-21-11-7-4-3-6-9(11)16-14(21)23/h3-4,6-7,10H,2,5,8H2,1H3,(H,15,22)(H,16,23)(H,17,18,19,20)
InChIKeySQNCCRITWAJAFU-UHFFFAOYSA-N
XLogP0.50
TPSA121.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]butanoic acid
CID 119223469
3-(2-aminophenyl)-N-[1-(2H-tetrazol-5-yl)butyl]propanamide;hydrochloride
CID 120611610
N-(2-hydroxypropyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 110898816
N-[2,6-di(propan-2-yl)phenyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 113195295
2-(2-methoxyethylamino)-N-[1-(2H-tetrazol-5-yl)butyl]acetamide
CID 119813161
2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-N-[(1R)-1-(2H-tetrazol-5-yl)butyl]acetamide
CID 99814771
N-[(4-ethoxyphenyl)-phenylmethyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 112841596
2-phenylsulfanyl-N-[1-(2H-tetrazol-5-yl)butyl]butanamide
CID 166237134
4-(methylamino)-N-[1-(2H-tetrazol-5-yl)butyl]butanamide;hydrochloride
CID 119813138
N-[3-(aminomethyl)pentan-3-yl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide;hydrochloride
CID 119571777
N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 112834440
N-(4-ethoxyphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 113195260

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-3H-benzimidazol-1-yl)-N-[1-(2H-tetrazol-5-yl)butyl]acetamide?
The IUPAC name of 2-(2-oxo-3H-benzimidazol-1-yl)-N-[1-(2H-tetrazol-5-yl)butyl]acetamide (CID 71920445) is 2-(2-oxo-3H-benzimidazol-1-yl)-N-[1-(2H-tetrazol-5-yl)butyl]acetamide.
What is the SMILES notation for 2-(2-oxo-3H-benzimidazol-1-yl)-N-[1-(2H-tetrazol-5-yl)butyl]acetamide?
The canonical SMILES for 2-(2-oxo-3H-benzimidazol-1-yl)-N-[1-(2H-tetrazol-5-yl)butyl]acetamide is CCCC(NC(=O)Cn1c(=O)[nH]c2ccccc21)c1nn[nH]n1.
What is the InChIKey of 2-(2-oxo-3H-benzimidazol-1-yl)-N-[1-(2H-tetrazol-5-yl)butyl]acetamide?
The InChIKey is SQNCCRITWAJAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N7O2/c1-2-5-10(13-17-19-20-18-13)15-12(22)8-21-11-7-4-3-6-9(11)16-14(21)23/h3-4,6-7,10H,2,5,8H2,1H3,(H,15,22)(H,16,23)(H,17,18,19,20).
What are the key properties of 2-(2-oxo-3H-benzimidazol-1-yl)-N-[1-(2H-tetrazol-5-yl)butyl]acetamide?
2-(2-oxo-3H-benzimidazol-1-yl)-N-[1-(2H-tetrazol-5-yl)butyl]acetamide has a molecular weight of 315.34 g/mol, XLogP of 0.50, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-3H-benzimidazol-1-yl)-N-[1-(2H-tetrazol-5-yl)butyl]acetamide is sourced from PubChem (CID 71920445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).