[3-methyl-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]imidazol-4-yl]methanol

C13H14N6OS — CID 66151702

IUPAC[3-methyl-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]imidazol-4-yl]methanol
SMILESCn1c(CO)cnc1SCc1nnnn1-c1ccccc1
InChIInChI=1S/C13H14N6OS/c1-18-11(8-20)7-14-13(18)21-9-12-15-16-17-19(12)10-5-3-2-4-6-10/h2-7,20H,8-9H2,1H3
InChIKeyKAAHKHBBWRJWMF-UHFFFAOYSA-N
MW302.36 g/mol
LogP1.18
Rot. Bonds5

About [3-methyl-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]imidazol-4-yl]methanol

[3-methyl-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]imidazol-4-yl]methanol (PubChem CID 66151702) has the molecular formula C13H14N6OS and a molecular weight of 302.36 g/mol. Its IUPAC name is [3-methyl-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]imidazol-4-yl]methanol.

Molecular Properties

Compound Name[3-methyl-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]imidazol-4-yl]methanol
PubChem CID66151702
Molecular FormulaC13H14N6OS
Molecular Weight302.36 g/mol
Exact Mass302.09
IUPAC Name[3-methyl-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]imidazol-4-yl]methanol
SMILESCn1c(CO)cnc1SCc1nnnn1-c1ccccc1
InChIInChI=1S/C13H14N6OS/c1-18-11(8-20)7-14-13(18)21-9-12-15-16-17-19(12)10-5-3-2-4-6-10/h2-7,20H,8-9H2,1H3
InChIKeyKAAHKHBBWRJWMF-UHFFFAOYSA-N
XLogP1.18
TPSA81.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-3-methylimidazol-4-yl]methanol
CID 66149841
5-[[1-(3-chlorophenyl)imidazol-2-yl]sulfanylmethyl]-1-phenyltetrazole
CID 18131089
2-[(1-phenyltetrazol-5-yl)methylsulfanyl]ethanol
CID 43394593
5-bromo-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]pyridine
CID 47023498
4-methyl-1-[(1-phenyltetrazol-5-yl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 27060568
3-[(1-phenyltetrazol-5-yl)methylsulfanyl]phenol
CID 104590232
2-[(1-phenyltetrazol-5-yl)methylsulfanyl]-4,5-dihydro-1,3-thiazole
CID 4894638
[2-[(2-ethyl-1,2,4-triazol-3-yl)methylsulfanyl]-3-methylimidazol-4-yl]methanol
CID 66149604
3-(2-methoxyphenyl)-5-[(1-phenyltetrazol-5-yl)methylsulfanyl]-1,2,4-triazol-4-amine
CID 27713898
1-phenyl-5-[(5-phenyl-1H-imidazol-2-yl)sulfanylmethyl]tetrazole
CID 35040145
[3-methyl-2-[(2-propyl-1,2,4-triazol-3-yl)methylsulfanyl]imidazol-4-yl]methanol
CID 66150885
N-[3-[3-[(1-phenyltetrazol-5-yl)methylsulfanyl]-1,2,4-triazol-4-yl]phenyl]acetamide
CID 99191690

Frequently Asked Questions

What is the IUPAC name of [3-methyl-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]imidazol-4-yl]methanol?
The IUPAC name of [3-methyl-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]imidazol-4-yl]methanol (CID 66151702) is [3-methyl-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]imidazol-4-yl]methanol.
What is the SMILES notation for [3-methyl-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]imidazol-4-yl]methanol?
The canonical SMILES for [3-methyl-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]imidazol-4-yl]methanol is Cn1c(CO)cnc1SCc1nnnn1-c1ccccc1.
What is the InChIKey of [3-methyl-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]imidazol-4-yl]methanol?
The InChIKey is KAAHKHBBWRJWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6OS/c1-18-11(8-20)7-14-13(18)21-9-12-15-16-17-19(12)10-5-3-2-4-6-10/h2-7,20H,8-9H2,1H3.
What are the key properties of [3-methyl-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]imidazol-4-yl]methanol?
[3-methyl-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]imidazol-4-yl]methanol has a molecular weight of 302.36 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]imidazol-4-yl]methanol is sourced from PubChem (CID 66151702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).