2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[(1-ethylbenzimidazol-2-yl)methyl]acetamide

C16H19N7OS — CID 55526851

IUPAC2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[(1-ethylbenzimidazol-2-yl)methyl]acetamide
SMILESCCn1c(CNC(=O)CSc2nnnn2C2CC2)nc2ccccc21
InChIInChI=1S/C16H19N7OS/c1-2-22-13-6-4-3-5-12(13)18-14(22)9-17-15(24)10-25-16-19-20-21-23(16)11-7-8-11/h3-6,11H,2,7-10H2,1H3,(H,17,24)
InChIKeyNDASRVMZEKFXOC-UHFFFAOYSA-N
MW357.44 g/mol
LogP1.79
Rot. Bonds7

About 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[(1-ethylbenzimidazol-2-yl)methyl]acetamide

2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[(1-ethylbenzimidazol-2-yl)methyl]acetamide (PubChem CID 55526851) has the molecular formula C16H19N7OS and a molecular weight of 357.44 g/mol. Its IUPAC name is 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[(1-ethylbenzimidazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[(1-ethylbenzimidazol-2-yl)methyl]acetamide
PubChem CID55526851
Molecular FormulaC16H19N7OS
Molecular Weight357.44 g/mol
Exact Mass357.14
IUPAC Name2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[(1-ethylbenzimidazol-2-yl)methyl]acetamide
SMILESCCn1c(CNC(=O)CSc2nnnn2C2CC2)nc2ccccc21
InChIInChI=1S/C16H19N7OS/c1-2-22-13-6-4-3-5-12(13)18-14(22)9-17-15(24)10-25-16-19-20-21-23(16)11-7-8-11/h3-6,11H,2,7-10H2,1H3,(H,17,24)
InChIKeyNDASRVMZEKFXOC-UHFFFAOYSA-N
XLogP1.79
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(2-methylphenyl)sulfanylacetamide
CID 18086685
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[(2S)-2-phenylbutyl]acetamide
CID 27096825
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-[(1-ethylbenzimidazol-2-yl)methyl]cyclopropanecarboxamide
CID 16969775
N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
CID 49046224
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[[4-(diethylaminomethyl)phenyl]methyl]acetamide
CID 39642004
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide
CID 43059897
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 51181909
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(1,1-diphenylpropan-2-yl)acetamide
CID 55632212
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(1-phenylbutyl)acetamide
CID 51259000
1-cyclopropyl-N-[(1-ethylbenzimidazol-2-yl)methyl]methanamine
CID 43655424

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[(1-ethylbenzimidazol-2-yl)methyl]acetamide?
The IUPAC name of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[(1-ethylbenzimidazol-2-yl)methyl]acetamide (CID 55526851) is 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[(1-ethylbenzimidazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[(1-ethylbenzimidazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[(1-ethylbenzimidazol-2-yl)methyl]acetamide is CCn1c(CNC(=O)CSc2nnnn2C2CC2)nc2ccccc21.
What is the InChIKey of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[(1-ethylbenzimidazol-2-yl)methyl]acetamide?
The InChIKey is NDASRVMZEKFXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7OS/c1-2-22-13-6-4-3-5-12(13)18-14(22)9-17-15(24)10-25-16-19-20-21-23(16)11-7-8-11/h3-6,11H,2,7-10H2,1H3,(H,17,24).
What are the key properties of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[(1-ethylbenzimidazol-2-yl)methyl]acetamide?
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[(1-ethylbenzimidazol-2-yl)methyl]acetamide has a molecular weight of 357.44 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[(1-ethylbenzimidazol-2-yl)methyl]acetamide is sourced from PubChem (CID 55526851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).