1-benzyl-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]benzimidazole

C22H18N6S — CID 1105872

IUPAC1-benzyl-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]benzimidazole
SMILESc1ccc(Cn2c(CSc3nnnn3-c3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C22H18N6S/c1-3-9-17(10-4-1)15-27-20-14-8-7-13-19(20)23-21(27)16-29-22-24-25-26-28(22)18-11-5-2-6-12-18/h1-14H,15-16H2
InChIKeyAAMXDGPOCNFAOV-UHFFFAOYSA-N
MW398.50 g/mol
LogP4.35
Rot. Bonds6

About 1-benzyl-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]benzimidazole

1-benzyl-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]benzimidazole (PubChem CID 1105872) has the molecular formula C22H18N6S and a molecular weight of 398.50 g/mol. Its IUPAC name is 1-benzyl-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]benzimidazole.

Molecular Properties

Compound Name1-benzyl-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]benzimidazole
PubChem CID1105872
Molecular FormulaC22H18N6S
Molecular Weight398.50 g/mol
Exact Mass398.13
IUPAC Name1-benzyl-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]benzimidazole
SMILESc1ccc(Cn2c(CSc3nnnn3-c3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C22H18N6S/c1-3-9-17(10-4-1)15-27-20-14-8-7-13-19(20)23-21(27)16-29-22-24-25-26-28(22)18-11-5-2-6-12-18/h1-14H,15-16H2
InChIKeyAAMXDGPOCNFAOV-UHFFFAOYSA-N
XLogP4.35
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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N-[(1-benzylbenzimidazol-2-yl)methyl]-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine
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9-Methyl-3-phenyl-2H-1-thia-4,4a-diaza-9-azonia-fluorene
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1-(4-Methylbenzyl)-2-(4-methylphenyl)-1h-benzimidazole
CID 15552557
1-(2-Methylprop-2-enyl)-2-phenylbenzimidazole
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N-[(1-benzyl-1H-benzimidazol-2-yl)methyl]-1-[2-(diethylamino)ethyl]-1H-benzimidazol-2-amine
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CID 2773189
2-[(1-Methyl-4-phenyl-imidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 44549080
3-(1H-1,2,3-benzotriazol-1-ylmethyl)-6-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]benzimidazole?
The IUPAC name of 1-benzyl-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]benzimidazole (CID 1105872) is 1-benzyl-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]benzimidazole.
What is the SMILES notation for 1-benzyl-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]benzimidazole?
The canonical SMILES for 1-benzyl-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]benzimidazole is c1ccc(Cn2c(CSc3nnnn3-c3ccccc3)nc3ccccc32)cc1.
What is the InChIKey of 1-benzyl-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]benzimidazole?
The InChIKey is AAMXDGPOCNFAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6S/c1-3-9-17(10-4-1)15-27-20-14-8-7-13-19(20)23-21(27)16-29-22-24-25-26-28(22)18-11-5-2-6-12-18/h1-14H,15-16H2.
What are the key properties of 1-benzyl-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]benzimidazole?
1-benzyl-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]benzimidazole has a molecular weight of 398.50 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]benzimidazole is sourced from PubChem (CID 1105872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).