6-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylpyridazine-3-carbonitrile

C19H12ClN5S — CID 133416032

IUPAC6-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylpyridazine-3-carbonitrile
SMILESN#Cc1ccc(Sc2nc3cc(Cl)ccc3n2Cc2ccccc2)nn1
InChIInChI=1S/C19H12ClN5S/c20-14-6-8-17-16(10-14)22-19(25(17)12-13-4-2-1-3-5-13)26-18-9-7-15(11-21)23-24-18/h1-10H,12H2
InChIKeyUOSCVHUCZANMHI-UHFFFAOYSA-N
MW377.86 g/mol
LogP4.55
Rot. Bonds4

About 6-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylpyridazine-3-carbonitrile

6-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylpyridazine-3-carbonitrile (PubChem CID 133416032) has the molecular formula C19H12ClN5S and a molecular weight of 377.86 g/mol. Its IUPAC name is 6-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylpyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylpyridazine-3-carbonitrile
PubChem CID133416032
Molecular FormulaC19H12ClN5S
Molecular Weight377.86 g/mol
Exact Mass377.05
IUPAC Name6-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylpyridazine-3-carbonitrile
SMILESN#Cc1ccc(Sc2nc3cc(Cl)ccc3n2Cc2ccccc2)nn1
InChIInChI=1S/C19H12ClN5S/c20-14-6-8-17-16(10-14)22-19(25(17)12-13-4-2-1-3-5-13)26-18-9-7-15(11-21)23-24-18/h1-10H,12H2
InChIKeyUOSCVHUCZANMHI-UHFFFAOYSA-N
XLogP4.55
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.86
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylacetamide
CID 3892285
2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylacetic acid
CID 5011390
6-[[4-benzyl-5-(5-bromofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]pyridazine-3-carbonitrile
CID 133433026
(2R)-2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanyl-N-carbamoylpropanamide
CID 7024063
1-benzyl-2-[2-(3-but-3-ynyldiazirin-3-yl)ethylsulfanyl]-5-chlorobenzimidazole
CID 166429490
3-[[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl-methylamino]methyl]benzonitrile
CID 55628284
phenacyl 2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylacetate
CID 16503216
2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanyl-N-prop-2-enylpropanamide
CID 46674728
2-[[2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylacetyl]amino]thiophene-3-carboxamide
CID 16502325
2-[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl]-5,6-dimethyl-3-oxopyridazine-4-carbonitrile
CID 25348164
1-[2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylpropanoyl]imidazolidin-2-one
CID 42893462
6-[1-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 46658121

Frequently Asked Questions

What is the IUPAC name of 6-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylpyridazine-3-carbonitrile?
The IUPAC name of 6-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylpyridazine-3-carbonitrile (CID 133416032) is 6-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylpyridazine-3-carbonitrile.
What is the SMILES notation for 6-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylpyridazine-3-carbonitrile?
The canonical SMILES for 6-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylpyridazine-3-carbonitrile is N#Cc1ccc(Sc2nc3cc(Cl)ccc3n2Cc2ccccc2)nn1.
What is the InChIKey of 6-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylpyridazine-3-carbonitrile?
The InChIKey is UOSCVHUCZANMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClN5S/c20-14-6-8-17-16(10-14)22-19(25(17)12-13-4-2-1-3-5-13)26-18-9-7-15(11-21)23-24-18/h1-10H,12H2.
What are the key properties of 6-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylpyridazine-3-carbonitrile?
6-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylpyridazine-3-carbonitrile has a molecular weight of 377.86 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylpyridazine-3-carbonitrile is sourced from PubChem (CID 133416032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).