N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide

C20H24N8O2S — CID 18289502

IUPACN-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
SMILESCCN(CC)CCn1c(NC(=O)Cn2nnn(-c3cccs3)c2=O)nc2ccccc21
InChIInChI=1S/C20H24N8O2S/c1-3-25(4-2)11-12-26-16-9-6-5-8-15(16)21-19(26)22-17(29)14-27-20(30)28(24-23-27)18-10-7-13-31-18/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,21,22,29)
InChIKeyLULMPBKCRYBLOH-UHFFFAOYSA-N
MW440.53 g/mol
LogP1.82
Rot. Bonds9

About N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide

N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide (PubChem CID 18289502) has the molecular formula C20H24N8O2S and a molecular weight of 440.53 g/mol. Its IUPAC name is N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
PubChem CID18289502
Molecular FormulaC20H24N8O2S
Molecular Weight440.53 g/mol
Exact Mass440.17
IUPAC NameN-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
SMILESCCN(CC)CCn1c(NC(=O)Cn2nnn(-c3cccs3)c2=O)nc2ccccc21
InChIInChI=1S/C20H24N8O2S/c1-3-25(4-2)11-12-26-16-9-6-5-8-15(16)21-19(26)22-17(29)14-27-20(30)28(24-23-27)18-10-7-13-31-18/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,21,22,29)
InChIKeyLULMPBKCRYBLOH-UHFFFAOYSA-N
XLogP1.82
TPSA102.87 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.53
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

2-chloro-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]acetamide
CID 6611163
2-[2-[[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19482801
2-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]acetamide
CID 19520547
N-(1-methylpyrazol-3-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
CID 18131426
2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]acetamide
CID 40604553
N-(2,6-diethylphenyl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
CID 17444231
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 42030130
2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide
CID 24599967
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 52549619
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide
CID 46692768
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-1-ethylpyrazole-4-carboxamide
CID 19280963
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-methylpyrazole-3-carboxamide
CID 19475551

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide?
The IUPAC name of N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide (CID 18289502) is N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide.
What is the SMILES notation for N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide?
The canonical SMILES for N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide is CCN(CC)CCn1c(NC(=O)Cn2nnn(-c3cccs3)c2=O)nc2ccccc21.
What is the InChIKey of N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide?
The InChIKey is LULMPBKCRYBLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N8O2S/c1-3-25(4-2)11-12-26-16-9-6-5-8-15(16)21-19(26)22-17(29)14-27-20(30)28(24-23-27)18-10-7-13-31-18/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,21,22,29).
What are the key properties of N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide?
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide has a molecular weight of 440.53 g/mol, XLogP of 1.82, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide is sourced from PubChem (CID 18289502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).