5-chloro-1-methyl-2-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]benzimidazole

C15H17ClN6OS — CID 47045903

IUPAC5-chloro-1-methyl-2-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]benzimidazole
SMILESCn1c(CSc2nnnn2CC2CCCO2)nc2cc(Cl)ccc21
InChIInChI=1S/C15H17ClN6OS/c1-21-13-5-4-10(16)7-12(13)17-14(21)9-24-15-18-19-20-22(15)8-11-3-2-6-23-11/h4-5,7,11H,2-3,6,8-9H2,1H3
InChIKeyQDAABEVLTGTSKW-UHFFFAOYSA-N
MW364.86 g/mol
LogP2.68
Rot. Bonds5

About 5-chloro-1-methyl-2-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]benzimidazole

5-chloro-1-methyl-2-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]benzimidazole (PubChem CID 47045903) has the molecular formula C15H17ClN6OS and a molecular weight of 364.86 g/mol. Its IUPAC name is 5-chloro-1-methyl-2-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]benzimidazole.

Molecular Properties

Compound Name5-chloro-1-methyl-2-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]benzimidazole
PubChem CID47045903
Molecular FormulaC15H17ClN6OS
Molecular Weight364.86 g/mol
Exact Mass364.09
IUPAC Name5-chloro-1-methyl-2-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]benzimidazole
SMILESCn1c(CSc2nnnn2CC2CCCO2)nc2cc(Cl)ccc21
InChIInChI=1S/C15H17ClN6OS/c1-21-13-5-4-10(16)7-12(13)17-14(21)9-24-15-18-19-20-22(15)8-11-3-2-6-23-11/h4-5,7,11H,2-3,6,8-9H2,1H3
InChIKeyQDAABEVLTGTSKW-UHFFFAOYSA-N
XLogP2.68
TPSA70.65 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.86
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

5-chloro-2-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]pyridine
CID 75498623
N-(4-chloro-2-methylphenyl)-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 51259132
6-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine
CID 24523086
1-(5-chloro-1-benzofuran-2-yl)-2-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylethanone
CID 25481626
5-chloro-2-methyl-1-(oxolan-2-ylmethyl)benzimidazole
CID 46310061
N-(2,5-dichlorophenyl)-3-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide
CID 42887779
5-chloro-2-methoxy-N'-[2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetyl]benzohydrazide
CID 146087102
2-cyclopropyl-4-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole
CID 75433529
N-[(2R)-2-(2,4-dichlorophenyl)pentyl]-2-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylacetamide
CID 25466393
2-(2,4-dimethylphenyl)-4-[[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylmethyl]-1,3-oxazole
CID 30777865
5-(3-chloroprop-2-enylsulfanyl)-1-(oxolan-2-ylmethyl)tetrazole
CID 72691656
2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanyl-1-(4-propan-2-yloxyphenyl)ethanone
CID 52511255

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-2-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]benzimidazole?
The IUPAC name of 5-chloro-1-methyl-2-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]benzimidazole (CID 47045903) is 5-chloro-1-methyl-2-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]benzimidazole.
What is the SMILES notation for 5-chloro-1-methyl-2-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]benzimidazole?
The canonical SMILES for 5-chloro-1-methyl-2-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]benzimidazole is Cn1c(CSc2nnnn2CC2CCCO2)nc2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-1-methyl-2-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]benzimidazole?
The InChIKey is QDAABEVLTGTSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN6OS/c1-21-13-5-4-10(16)7-12(13)17-14(21)9-24-15-18-19-20-22(15)8-11-3-2-6-23-11/h4-5,7,11H,2-3,6,8-9H2,1H3.
What are the key properties of 5-chloro-1-methyl-2-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]benzimidazole?
5-chloro-1-methyl-2-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]benzimidazole has a molecular weight of 364.86 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methyl-2-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]benzimidazole is sourced from PubChem (CID 47045903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).