2-(4-chlorophenyl)-6-cyclohexyloxy-5-pyridin-4-ylsulfanyl-1H-benzimidazole

C24H22ClN3OS — CID 139820640

IUPAC2-(4-chlorophenyl)-6-cyclohexyloxy-5-pyridin-4-ylsulfanyl-1H-benzimidazole
SMILESClc1ccc(-c2nc3cc(Sc4ccncc4)c(OC4CCCCC4)cc3[nH]2)cc1
InChIInChI=1S/C24H22ClN3OS/c25-17-8-6-16(7-9-17)24-27-20-14-22(29-18-4-2-1-3-5-18)23(15-21(20)28-24)30-19-10-12-26-13-11-19/h6-15,18H,1-5H2,(H,27,28)
InChIKeyFDGGAOARHUMSEW-UHFFFAOYSA-N
MW435.98 g/mol
LogP7.14
Rot. Bonds5

About 2-(4-chlorophenyl)-6-cyclohexyloxy-5-pyridin-4-ylsulfanyl-1H-benzimidazole

2-(4-chlorophenyl)-6-cyclohexyloxy-5-pyridin-4-ylsulfanyl-1H-benzimidazole (PubChem CID 139820640) has the molecular formula C24H22ClN3OS and a molecular weight of 435.98 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-6-cyclohexyloxy-5-pyridin-4-ylsulfanyl-1H-benzimidazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-6-cyclohexyloxy-5-pyridin-4-ylsulfanyl-1H-benzimidazole
PubChem CID139820640
Molecular FormulaC24H22ClN3OS
Molecular Weight435.98 g/mol
Exact Mass435.12
IUPAC Name2-(4-chlorophenyl)-6-cyclohexyloxy-5-pyridin-4-ylsulfanyl-1H-benzimidazole
SMILESClc1ccc(-c2nc3cc(Sc4ccncc4)c(OC4CCCCC4)cc3[nH]2)cc1
InChIInChI=1S/C24H22ClN3OS/c25-17-8-6-16(7-9-17)24-27-20-14-22(29-18-4-2-1-3-5-18)23(15-21(20)28-24)30-19-10-12-26-13-11-19/h6-15,18H,1-5H2,(H,27,28)
InChIKeyFDGGAOARHUMSEW-UHFFFAOYSA-N
XLogP7.14
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.98
LogP ≤ 57.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-6-cyclohexyloxy-5-pyridin-4-ylsulfanyl-1H-benzimidazole?
The IUPAC name of 2-(4-chlorophenyl)-6-cyclohexyloxy-5-pyridin-4-ylsulfanyl-1H-benzimidazole (CID 139820640) is 2-(4-chlorophenyl)-6-cyclohexyloxy-5-pyridin-4-ylsulfanyl-1H-benzimidazole.
What is the SMILES notation for 2-(4-chlorophenyl)-6-cyclohexyloxy-5-pyridin-4-ylsulfanyl-1H-benzimidazole?
The canonical SMILES for 2-(4-chlorophenyl)-6-cyclohexyloxy-5-pyridin-4-ylsulfanyl-1H-benzimidazole is Clc1ccc(-c2nc3cc(Sc4ccncc4)c(OC4CCCCC4)cc3[nH]2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-6-cyclohexyloxy-5-pyridin-4-ylsulfanyl-1H-benzimidazole?
The InChIKey is FDGGAOARHUMSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3OS/c25-17-8-6-16(7-9-17)24-27-20-14-22(29-18-4-2-1-3-5-18)23(15-21(20)28-24)30-19-10-12-26-13-11-19/h6-15,18H,1-5H2,(H,27,28).
What are the key properties of 2-(4-chlorophenyl)-6-cyclohexyloxy-5-pyridin-4-ylsulfanyl-1H-benzimidazole?
2-(4-chlorophenyl)-6-cyclohexyloxy-5-pyridin-4-ylsulfanyl-1H-benzimidazole has a molecular weight of 435.98 g/mol, XLogP of 7.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-6-cyclohexyloxy-5-pyridin-4-ylsulfanyl-1H-benzimidazole is sourced from PubChem (CID 139820640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).