ethyl N-[6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]sulfanylmethyl]-2-pyridinyl]carbamate

C18H18N8O2S — CID 135230223

IUPACethyl N-[6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]sulfanylmethyl]-2-pyridinyl]carbamate
SMILESCCOC(=O)Nc1cccc(CSc2nc3ccccc3n2-c2nnnn2C)n1
InChIInChI=1S/C18H18N8O2S/c1-3-28-18(27)21-15-10-6-7-12(19-15)11-29-17-20-13-8-4-5-9-14(13)26(17)16-22-23-24-25(16)2/h4-10H,3,11H2,1-2H3,(H,19,21,27)
InChIKeyKIWRFRUDTURPGY-UHFFFAOYSA-N
MW410.46 g/mol
LogP2.80
Rot. Bonds6

About ethyl N-[6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]sulfanylmethyl]-2-pyridinyl]carbamate

ethyl N-[6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]sulfanylmethyl]-2-pyridinyl]carbamate (PubChem CID 135230223) has the molecular formula C18H18N8O2S and a molecular weight of 410.46 g/mol. Its IUPAC name is ethyl N-[6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]sulfanylmethyl]-2-pyridinyl]carbamate.

Molecular Properties

Compound Nameethyl N-[6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]sulfanylmethyl]-2-pyridinyl]carbamate
PubChem CID135230223
Molecular FormulaC18H18N8O2S
Molecular Weight410.46 g/mol
Exact Mass410.13
IUPAC Nameethyl N-[6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]sulfanylmethyl]-2-pyridinyl]carbamate
SMILESCCOC(=O)Nc1cccc(CSc2nc3ccccc3n2-c2nnnn2C)n1
InChIInChI=1S/C18H18N8O2S/c1-3-28-18(27)21-15-10-6-7-12(19-15)11-29-17-20-13-8-4-5-9-14(13)26(17)16-22-23-24-25(16)2/h4-10H,3,11H2,1-2H3,(H,19,21,27)
InChIKeyKIWRFRUDTURPGY-UHFFFAOYSA-N
XLogP2.80
TPSA112.64 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.46
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

1-(1-methyltetrazol-5-yl)-2-(pyrimidin-4-ylmethylsulfanyl)benzimidazole
CID 135230197
propyl N-[6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]carbamate
CID 138576902
2,2-difluoro-N-[6-[[1-(1-methylimidazol-2-yl)benzimidazol-2-yl]sulfanylmethyl]-2-pyridinyl]-2-phenoxyacetamide
CID 135230268
2,2-difluoro-N-[6-[[1-(3-methyl-2-pyridinyl)benzimidazol-2-yl]sulfanylmethyl]-2-pyridinyl]propanamide
CID 158076919
2-methylpropyl N-[6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]carbamate
CID 138576896
1-(1-methyltetrazol-5-yl)-2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfanyl]benzimidazole
CID 135230434
N-methyl-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]pyridin-2-amine
CID 79239132
1-(1-methyltetrazol-5-yl)-2-pyrimidin-2-ylsulfanylbenzimidazole
CID 135230188
N-[6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]propanamide
CID 138576903
N-[6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]acetamide
CID 138576949
4-chloro-1-(1-methyltetrazol-5-yl)-2-(pyridin-2-ylmethylsulfanyl)benzimidazole
CID 135230272
N-[6-[[1-(5-chloropyrimidin-4-yl)benzimidazol-2-yl]sulfanylmethyl]-2-pyridinyl]-2-fluoro-2-phenoxypropanamide
CID 157153920

Frequently Asked Questions

What is the IUPAC name of ethyl N-[6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]sulfanylmethyl]-2-pyridinyl]carbamate?
The IUPAC name of ethyl N-[6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]sulfanylmethyl]-2-pyridinyl]carbamate (CID 135230223) is ethyl N-[6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]sulfanylmethyl]-2-pyridinyl]carbamate.
What is the SMILES notation for ethyl N-[6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]sulfanylmethyl]-2-pyridinyl]carbamate?
The canonical SMILES for ethyl N-[6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]sulfanylmethyl]-2-pyridinyl]carbamate is CCOC(=O)Nc1cccc(CSc2nc3ccccc3n2-c2nnnn2C)n1.
What is the InChIKey of ethyl N-[6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]sulfanylmethyl]-2-pyridinyl]carbamate?
The InChIKey is KIWRFRUDTURPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N8O2S/c1-3-28-18(27)21-15-10-6-7-12(19-15)11-29-17-20-13-8-4-5-9-14(13)26(17)16-22-23-24-25(16)2/h4-10H,3,11H2,1-2H3,(H,19,21,27).
What are the key properties of ethyl N-[6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]sulfanylmethyl]-2-pyridinyl]carbamate?
ethyl N-[6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]sulfanylmethyl]-2-pyridinyl]carbamate has a molecular weight of 410.46 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]sulfanylmethyl]-2-pyridinyl]carbamate is sourced from PubChem (CID 135230223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).