5-[[1-(3-chlorophenyl)imidazol-2-yl]sulfanylmethyl]-1-phenyltetrazole

C17H13ClN6S — CID 18131089

IUPAC5-[[1-(3-chlorophenyl)imidazol-2-yl]sulfanylmethyl]-1-phenyltetrazole
SMILESClc1cccc(-n2ccnc2SCc2nnnn2-c2ccccc2)c1
InChIInChI=1S/C17H13ClN6S/c18-13-5-4-8-15(11-13)23-10-9-19-17(23)25-12-16-20-21-22-24(16)14-6-2-1-3-7-14/h1-11H,12H2
InChIKeyLIVPAWBGIOZVTM-UHFFFAOYSA-N
MW368.85 g/mol
LogP3.79
Rot. Bonds5

About 5-[[1-(3-chlorophenyl)imidazol-2-yl]sulfanylmethyl]-1-phenyltetrazole

5-[[1-(3-chlorophenyl)imidazol-2-yl]sulfanylmethyl]-1-phenyltetrazole (PubChem CID 18131089) has the molecular formula C17H13ClN6S and a molecular weight of 368.85 g/mol. Its IUPAC name is 5-[[1-(3-chlorophenyl)imidazol-2-yl]sulfanylmethyl]-1-phenyltetrazole.

Molecular Properties

Compound Name5-[[1-(3-chlorophenyl)imidazol-2-yl]sulfanylmethyl]-1-phenyltetrazole
PubChem CID18131089
Molecular FormulaC17H13ClN6S
Molecular Weight368.85 g/mol
Exact Mass368.06
IUPAC Name5-[[1-(3-chlorophenyl)imidazol-2-yl]sulfanylmethyl]-1-phenyltetrazole
SMILESClc1cccc(-n2ccnc2SCc2nnnn2-c2ccccc2)c1
InChIInChI=1S/C17H13ClN6S/c18-13-5-4-8-15(11-13)23-10-9-19-17(23)25-12-16-20-21-22-24(16)14-6-2-1-3-7-14/h1-11H,12H2
InChIKeyLIVPAWBGIOZVTM-UHFFFAOYSA-N
XLogP3.79
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.85
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(3-chlorophenyl)methylsulfanylmethyl]-1-phenyltetrazole
CID 52561068
2-[[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]pyridine
CID 18122497
4-[[1-(3-chlorophenyl)imidazol-2-yl]sulfanylmethyl]pyridin-2-amine
CID 146128776
[3-methyl-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]imidazol-4-yl]methanol
CID 66151702
1-(3-chlorophenyl)-2-(2-methylprop-2-enylsulfanyl)imidazole
CID 47134933
2-[[1-(3-chlorophenyl)imidazol-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
CID 51259735
1-(3-chlorophenyl)-5-[(2-chlorophenyl)methylsulfanyl]tetrazole
CID 833720
3-chloro-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]aniline
CID 43304469
N-[3-[3-[(1-phenyltetrazol-5-yl)methylsulfanyl]-1,2,4-triazol-4-yl]phenyl]acetamide
CID 99191690
5-chloro-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]-1,3-benzoxazole
CID 51208985
3-[(1-phenyltetrazol-5-yl)methylsulfanyl]phenol
CID 104590232
4-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylbutanenitrile
CID 134010953

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(3-chlorophenyl)imidazol-2-yl]sulfanylmethyl]-1-phenyltetrazole?
The IUPAC name of 5-[[1-(3-chlorophenyl)imidazol-2-yl]sulfanylmethyl]-1-phenyltetrazole (CID 18131089) is 5-[[1-(3-chlorophenyl)imidazol-2-yl]sulfanylmethyl]-1-phenyltetrazole.
What is the SMILES notation for 5-[[1-(3-chlorophenyl)imidazol-2-yl]sulfanylmethyl]-1-phenyltetrazole?
The canonical SMILES for 5-[[1-(3-chlorophenyl)imidazol-2-yl]sulfanylmethyl]-1-phenyltetrazole is Clc1cccc(-n2ccnc2SCc2nnnn2-c2ccccc2)c1.
What is the InChIKey of 5-[[1-(3-chlorophenyl)imidazol-2-yl]sulfanylmethyl]-1-phenyltetrazole?
The InChIKey is LIVPAWBGIOZVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN6S/c18-13-5-4-8-15(11-13)23-10-9-19-17(23)25-12-16-20-21-22-24(16)14-6-2-1-3-7-14/h1-11H,12H2.
What are the key properties of 5-[[1-(3-chlorophenyl)imidazol-2-yl]sulfanylmethyl]-1-phenyltetrazole?
5-[[1-(3-chlorophenyl)imidazol-2-yl]sulfanylmethyl]-1-phenyltetrazole has a molecular weight of 368.85 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(3-chlorophenyl)imidazol-2-yl]sulfanylmethyl]-1-phenyltetrazole is sourced from PubChem (CID 18131089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).