N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide

C19H18N8OS — CID 49046224

IUPACN-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
SMILESO=C(CSc1nnnn1C1CC1)NCc1ccc(-n2cnc3ccccc32)nc1
InChIInChI=1S/C19H18N8OS/c28-18(11-29-19-23-24-25-27(19)14-6-7-14)21-10-13-5-8-17(20-9-13)26-12-22-15-3-1-2-4-16(15)26/h1-5,8-9,12,14H,6-7,10-11H2,(H,21,28)
InChIKeyOTJWTIFYDQWZKD-UHFFFAOYSA-N
MW406.48 g/mol
LogP2.15
Rot. Bonds7

About N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide

N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide (PubChem CID 49046224) has the molecular formula C19H18N8OS and a molecular weight of 406.48 g/mol. Its IUPAC name is N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
PubChem CID49046224
Molecular FormulaC19H18N8OS
Molecular Weight406.48 g/mol
Exact Mass406.13
IUPAC NameN-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
SMILESO=C(CSc1nnnn1C1CC1)NCc1ccc(-n2cnc3ccccc32)nc1
InChIInChI=1S/C19H18N8OS/c28-18(11-29-19-23-24-25-27(19)14-6-7-14)21-10-13-5-8-17(20-9-13)26-12-22-15-3-1-2-4-16(15)26/h1-5,8-9,12,14H,6-7,10-11H2,(H,21,28)
InChIKeyOTJWTIFYDQWZKD-UHFFFAOYSA-N
XLogP2.15
TPSA103.41 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-(6-methyl-3-pyridinyl)acetamide
CID 49045941
N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetamide
CID 49046652
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[(1-ethylbenzimidazol-2-yl)methyl]acetamide
CID 55526851
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[[4-(diethylaminomethyl)phenyl]methyl]acetamide
CID 39642004
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 39639994
N-[(2-chlorophenyl)methyl]-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
CID 51244952
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 39695126
N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-4-ethoxybutanamide
CID 49046049
N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 62293136
N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-1H-indazole-3-carboxamide
CID 49046801
N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-[benzyl(methyl)amino]acetamide
CID 49045784
N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-3-(2-fluorophenyl)propanamide
CID 49046518

Frequently Asked Questions

What is the IUPAC name of N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide (CID 49046224) is N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide is O=C(CSc1nnnn1C1CC1)NCc1ccc(-n2cnc3ccccc32)nc1.
What is the InChIKey of N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is OTJWTIFYDQWZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N8OS/c28-18(11-29-19-23-24-25-27(19)14-6-7-14)21-10-13-5-8-17(20-9-13)26-12-22-15-3-1-2-4-16(15)26/h1-5,8-9,12,14H,6-7,10-11H2,(H,21,28).
What are the key properties of N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide?
N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 406.48 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 49046224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).