1-benzyl-2-[[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylmethyl]benzimidazole

C26H26N4S — CID 23610017

IUPAC1-benzyl-2-[[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylmethyl]benzimidazole
SMILESCC(C)Cn1c(SCc2nc3ccccc3n2Cc2ccccc2)nc2ccccc21
InChIInChI=1S/C26H26N4S/c1-19(2)16-30-24-15-9-7-13-22(24)28-26(30)31-18-25-27-21-12-6-8-14-23(21)29(25)17-20-10-4-3-5-11-20/h3-15,19H,16-18H2,1-2H3
InChIKeyHZDGKZSKANDWRQ-UHFFFAOYSA-N
MW426.59 g/mol
LogP6.38
Rot. Bonds7

About 1-benzyl-2-[[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylmethyl]benzimidazole

1-benzyl-2-[[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylmethyl]benzimidazole (PubChem CID 23610017) has the molecular formula C26H26N4S and a molecular weight of 426.59 g/mol. Its IUPAC name is 1-benzyl-2-[[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylmethyl]benzimidazole.

Molecular Properties

Compound Name1-benzyl-2-[[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylmethyl]benzimidazole
PubChem CID23610017
Molecular FormulaC26H26N4S
Molecular Weight426.59 g/mol
Exact Mass426.19
IUPAC Name1-benzyl-2-[[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylmethyl]benzimidazole
SMILESCC(C)Cn1c(SCc2nc3ccccc3n2Cc2ccccc2)nc2ccccc21
InChIInChI=1S/C26H26N4S/c1-19(2)16-30-24-15-9-7-13-22(24)28-26(30)31-18-25-27-21-12-6-8-14-23(21)29(25)17-20-10-4-3-5-11-20/h3-15,19H,16-18H2,1-2H3
InChIKeyHZDGKZSKANDWRQ-UHFFFAOYSA-N
XLogP6.38
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.59
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-2-ethylsulfanylbenzimidazole
CID 700789
1-[(1-benzylbenzimidazol-2-yl)methylsulfanyl]-4-methyl-[1,2,4]triazolo[4,3-a]benzimidazole
CID 2773107
2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylacetic acid
CID 28830585
1-benzyl-2-[(1R)-1-phenylethyl]sulfanylbenzimidazole
CID 39115837
2-[(4-chlorophenyl)sulfanylmethyl]-1-[(4-propan-2-ylphenyl)methyl]benzimidazole
CID 18878257
1-(1-benzylbenzimidazol-2-yl)-4-methylpentan-2-amine
CID 175232224
1-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)sulfanylmethyl]benzimidazole
CID 18878253
1-benzyl-2-propylbenzimidazole
CID 764560
1-(2-benzylsulfanylbenzimidazol-1-yl)-3-carbazol-9-ylpropan-2-ol
CID 23734487
N-[(1-benzylbenzimidazol-2-yl)methyl]-3-methylbutan-1-amine
CID 134084344
5-[(1-benzylbenzimidazol-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 1270560
1-benzyl-2-[1-(1-benzylbenzimidazol-2-yl)ethyl]benzimidazole
CID 141183373

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-[[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylmethyl]benzimidazole?
The IUPAC name of 1-benzyl-2-[[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylmethyl]benzimidazole (CID 23610017) is 1-benzyl-2-[[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylmethyl]benzimidazole.
What is the SMILES notation for 1-benzyl-2-[[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylmethyl]benzimidazole?
The canonical SMILES for 1-benzyl-2-[[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylmethyl]benzimidazole is CC(C)Cn1c(SCc2nc3ccccc3n2Cc2ccccc2)nc2ccccc21.
What is the InChIKey of 1-benzyl-2-[[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylmethyl]benzimidazole?
The InChIKey is HZDGKZSKANDWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4S/c1-19(2)16-30-24-15-9-7-13-22(24)28-26(30)31-18-25-27-21-12-6-8-14-23(21)29(25)17-20-10-4-3-5-11-20/h3-15,19H,16-18H2,1-2H3.
What are the key properties of 1-benzyl-2-[[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylmethyl]benzimidazole?
1-benzyl-2-[[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylmethyl]benzimidazole has a molecular weight of 426.59 g/mol, XLogP of 6.38, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-[[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylmethyl]benzimidazole is sourced from PubChem (CID 23610017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).