1-(1-methyltetrazol-5-yl)-2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfanyl]benzimidazole

C18H16F3N7OS — CID 135230434

IUPAC1-(1-methyltetrazol-5-yl)-2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfanyl]benzimidazole
SMILESCc1c(OCC(F)(F)F)ccnc1CSc1nc2ccccc2n1-c1nnnn1C
InChIInChI=1S/C18H16F3N7OS/c1-11-13(22-8-7-15(11)29-10-18(19,20)21)9-30-17-23-12-5-3-4-6-14(12)28(17)16-24-25-26-27(16)2/h3-8H,9-10H2,1-2H3
InChIKeyZVPRKVKULMACSZ-UHFFFAOYSA-N
MW435.44 g/mol
LogP3.49
Rot. Bonds6

About 1-(1-methyltetrazol-5-yl)-2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfanyl]benzimidazole

1-(1-methyltetrazol-5-yl)-2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfanyl]benzimidazole (PubChem CID 135230434) has the molecular formula C18H16F3N7OS and a molecular weight of 435.44 g/mol. Its IUPAC name is 1-(1-methyltetrazol-5-yl)-2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfanyl]benzimidazole.

Molecular Properties

Compound Name1-(1-methyltetrazol-5-yl)-2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfanyl]benzimidazole
PubChem CID135230434
Molecular FormulaC18H16F3N7OS
Molecular Weight435.44 g/mol
Exact Mass435.11
IUPAC Name1-(1-methyltetrazol-5-yl)-2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfanyl]benzimidazole
SMILESCc1c(OCC(F)(F)F)ccnc1CSc1nc2ccccc2n1-c1nnnn1C
InChIInChI=1S/C18H16F3N7OS/c1-11-13(22-8-7-15(11)29-10-18(19,20)21)9-30-17-23-12-5-3-4-6-14(12)28(17)16-24-25-26-27(16)2/h3-8H,9-10H2,1-2H3
InChIKeyZVPRKVKULMACSZ-UHFFFAOYSA-N
XLogP3.49
TPSA83.54 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.44
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 1-(1-methyltetrazol-5-yl)-2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfanyl]benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Rabeprazole
CID 5029
Dexlansoprazole
CID 9578005
Lansoprazole
CID 3883
Rabeprazole Sodium
CID 14720269
Lansoprazole sulfide
CID 1094080
Rabeprazole-thioether
CID 9949996
Lansoprazole Sulfone
CID 10385385
(+)-Rabeprazole
CID 9906855
Aciphex
CID 4659392
[11C]-N-Methyl Lansoprazole
CID 71459376
3-(3-(4-(5-fluoro-2-(pyridin-2-yl)-1H-benzo[d]imidazol-1-yl)phenoxy)propyl)thiazolidine
CID 11532153
Acetic acid 2-(4-methoxy-3,5-dimethyl-pyridin-2-ylmethanesulfinyl)-benzoimidazol-1-ylmethyl ester
CID 14441087

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyltetrazol-5-yl)-2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfanyl]benzimidazole?
The IUPAC name of 1-(1-methyltetrazol-5-yl)-2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfanyl]benzimidazole (CID 135230434) is 1-(1-methyltetrazol-5-yl)-2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfanyl]benzimidazole.
What is the SMILES notation for 1-(1-methyltetrazol-5-yl)-2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfanyl]benzimidazole?
The canonical SMILES for 1-(1-methyltetrazol-5-yl)-2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfanyl]benzimidazole is Cc1c(OCC(F)(F)F)ccnc1CSc1nc2ccccc2n1-c1nnnn1C.
What is the InChIKey of 1-(1-methyltetrazol-5-yl)-2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfanyl]benzimidazole?
The InChIKey is ZVPRKVKULMACSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N7OS/c1-11-13(22-8-7-15(11)29-10-18(19,20)21)9-30-17-23-12-5-3-4-6-14(12)28(17)16-24-25-26-27(16)2/h3-8H,9-10H2,1-2H3.
What are the key properties of 1-(1-methyltetrazol-5-yl)-2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfanyl]benzimidazole?
1-(1-methyltetrazol-5-yl)-2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfanyl]benzimidazole has a molecular weight of 435.44 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyltetrazol-5-yl)-2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfanyl]benzimidazole is sourced from PubChem (CID 135230434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).