2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-(5-methyltetrazol-1-yl)phenyl]acetamide

C19H19N7O2 — CID 55676941

IUPAC2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-(5-methyltetrazol-1-yl)phenyl]acetamide
SMILESCCn1c(=O)n(CC(=O)Nc2cccc(-n3nnnc3C)c2)c2ccccc21
InChIInChI=1S/C19H19N7O2/c1-3-24-16-9-4-5-10-17(16)25(19(24)28)12-18(27)20-14-7-6-8-15(11-14)26-13(2)21-22-23-26/h4-11H,3,12H2,1-2H3,(H,20,27)
InChIKeyMMJYKRVVPUDIKY-UHFFFAOYSA-N
MW377.41 g/mol
LogP1.75
Rot. Bonds5

About 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-(5-methyltetrazol-1-yl)phenyl]acetamide

2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-(5-methyltetrazol-1-yl)phenyl]acetamide (PubChem CID 55676941) has the molecular formula C19H19N7O2 and a molecular weight of 377.41 g/mol. Its IUPAC name is 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-(5-methyltetrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-(5-methyltetrazol-1-yl)phenyl]acetamide
PubChem CID55676941
Molecular FormulaC19H19N7O2
Molecular Weight377.41 g/mol
Exact Mass377.16
IUPAC Name2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-(5-methyltetrazol-1-yl)phenyl]acetamide
SMILESCCn1c(=O)n(CC(=O)Nc2cccc(-n3nnnc3C)c2)c2ccccc21
InChIInChI=1S/C19H19N7O2/c1-3-24-16-9-4-5-10-17(16)25(19(24)28)12-18(27)20-14-7-6-8-15(11-14)26-13(2)21-22-23-26/h4-11H,3,12H2,1-2H3,(H,20,27)
InChIKeyMMJYKRVVPUDIKY-UHFFFAOYSA-N
XLogP1.75
TPSA99.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-[1-[1-(1-tert-butyltetrazol-5-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 51360393
3-[1-[1-(1-butyltetrazol-5-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 51360383
3-[1-[1-(1-cyclohexyltetrazol-5-yl)propyl]-4-piperidyl]-1H-benzimidazol-2-one
CID 51360360
3-[1-[1-(1-cyclopentyltetrazol-5-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 51360371
N-(2-methylphenyl)-2-[3-(5-methyltetrazol-1-yl)anilino]acetamide
CID 36912531
3-[1-[(1-tert-butyltetrazol-5-yl)-cyclopropylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 51360392
2-(1,3-dimethyl-2,5-dioxo-4-imidazolidinyl)-N-[(1-phenyl-1H-tetrazol-5-yl)methyl]acetamide
CID 70764832
N-(2-fluorophenyl)-2-[3-(5-methyltetrazol-1-yl)anilino]acetamide
CID 36913354
1-[(1-Butyltetrazol-5-yl)methyl]-3-methylbenzimidazol-2-one
CID 75459960
2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]acetamide
CID 136520138
N-(2,6-difluorophenyl)-2-[ethyl-[(1-phenyltetrazol-5-yl)methyl]amino]acetamide
CID 18087647
1-(4-fluorophenyl)-5-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-1,2,4-triazole-3-carboxamide
CID 24509541

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-(5-methyltetrazol-1-yl)phenyl]acetamide?
The IUPAC name of 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-(5-methyltetrazol-1-yl)phenyl]acetamide (CID 55676941) is 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-(5-methyltetrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-(5-methyltetrazol-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-(5-methyltetrazol-1-yl)phenyl]acetamide is CCn1c(=O)n(CC(=O)Nc2cccc(-n3nnnc3C)c2)c2ccccc21.
What is the InChIKey of 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-(5-methyltetrazol-1-yl)phenyl]acetamide?
The InChIKey is MMJYKRVVPUDIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O2/c1-3-24-16-9-4-5-10-17(16)25(19(24)28)12-18(27)20-14-7-6-8-15(11-14)26-13(2)21-22-23-26/h4-11H,3,12H2,1-2H3,(H,20,27).
What are the key properties of 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-(5-methyltetrazol-1-yl)phenyl]acetamide?
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-(5-methyltetrazol-1-yl)phenyl]acetamide has a molecular weight of 377.41 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-(5-methyltetrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 55676941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).