5-chloro-1-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzimidazole

C18H16ClN5S — CID 87018548

IUPAC5-chloro-1-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzimidazole
SMILESCn1c(SCc2nc3cc(Cl)ccc3n2C)nnc1-c1ccccc1
InChIInChI=1S/C18H16ClN5S/c1-23-15-9-8-13(19)10-14(15)20-16(23)11-25-18-22-21-17(24(18)2)12-6-4-3-5-7-12/h3-10H,11H2,1-2H3
InChIKeyBSIVTVZNMAFIPG-UHFFFAOYSA-N
MW369.88 g/mol
LogP4.31
Rot. Bonds4

About 5-chloro-1-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzimidazole

5-chloro-1-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzimidazole (PubChem CID 87018548) has the molecular formula C18H16ClN5S and a molecular weight of 369.88 g/mol. Its IUPAC name is 5-chloro-1-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzimidazole.

Molecular Properties

Compound Name5-chloro-1-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzimidazole
PubChem CID87018548
Molecular FormulaC18H16ClN5S
Molecular Weight369.88 g/mol
Exact Mass369.08
IUPAC Name5-chloro-1-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzimidazole
SMILESCn1c(SCc2nc3cc(Cl)ccc3n2C)nnc1-c1ccccc1
InChIInChI=1S/C18H16ClN5S/c1-23-15-9-8-13(19)10-14(15)20-16(23)11-25-18-22-21-17(24(18)2)12-6-4-3-5-7-12/h3-10H,11H2,1-2H3
InChIKeyBSIVTVZNMAFIPG-UHFFFAOYSA-N
XLogP4.31
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.88
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(5-chloro-1-methylbenzimidazol-2-yl)methylsulfanyl]-5-(3-chlorophenyl)-1,2,4-triazol-4-amine
CID 78900982
1-benzyl-5-chloro-2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzimidazole
CID 46548803
4-methyl-3-[[3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]methylsulfanyl]-5-phenyl-1,2,4-triazole
CID 4003653
3-(4-chlorophenyl)-5-[(2-chlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazole
CID 1129848
5-chloro-2-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1-methylbenzimidazole
CID 87018067
5-methyl-3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2-oxazole
CID 8950679
2-[(5-chloro-1-methylbenzimidazol-2-yl)methylsulfanyl]-5-(methylsulfanylmethyl)-1,3,4-oxadiazole
CID 47045906
5-chloro-1-methyl-2-(phenoxymethyl)benzimidazole
CID 46310360
3-(4-chlorophenyl)-5-[(2,6-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazole
CID 3136390
1-(4-chlorophenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanol
CID 110884576
2-[[4-benzyl-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methylquinazolin-4-one
CID 35431730
3-[(4-chloro-2-fluorophenyl)methylsulfanyl]-4-methyl-5-(3-methylphenyl)-1,2,4-triazole
CID 134065498

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzimidazole?
The IUPAC name of 5-chloro-1-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzimidazole (CID 87018548) is 5-chloro-1-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzimidazole.
What is the SMILES notation for 5-chloro-1-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzimidazole?
The canonical SMILES for 5-chloro-1-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzimidazole is Cn1c(SCc2nc3cc(Cl)ccc3n2C)nnc1-c1ccccc1.
What is the InChIKey of 5-chloro-1-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzimidazole?
The InChIKey is BSIVTVZNMAFIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN5S/c1-23-15-9-8-13(19)10-14(15)20-16(23)11-25-18-22-21-17(24(18)2)12-6-4-3-5-7-12/h3-10H,11H2,1-2H3.
What are the key properties of 5-chloro-1-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzimidazole?
5-chloro-1-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzimidazole has a molecular weight of 369.88 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzimidazole is sourced from PubChem (CID 87018548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).