cyclohexanol;5,6-dichloro-4-methoxy-2-pyridin-4-yl-1H-benzimidazole

C19H21Cl2N3O2 — CID 142454153

IUPACcyclohexanol;5,6-dichloro-4-methoxy-2-pyridin-4-yl-1H-benzimidazole
SMILESCOc1c(Cl)c(Cl)cc2[nH]c(-c3ccncc3)nc12.OC1CCCCC1
InChIInChI=1S/C13H9Cl2N3O.C6H12O/c1-19-12-10(15)8(14)6-9-11(12)18-13(17-9)7-2-4-16-5-3-7;7-6-4-2-1-3-5-6/h2-6H,1H3,(H,17,18);6-7H,1-5H2
InChIKeyOVLJHYPHBVMGEB-UHFFFAOYSA-N
MW394.30 g/mol
LogP5.25
Rot. Bonds2

About cyclohexanol;5,6-dichloro-4-methoxy-2-pyridin-4-yl-1H-benzimidazole

cyclohexanol;5,6-dichloro-4-methoxy-2-pyridin-4-yl-1H-benzimidazole (PubChem CID 142454153) has the molecular formula C19H21Cl2N3O2 and a molecular weight of 394.30 g/mol. Its IUPAC name is cyclohexanol;5,6-dichloro-4-methoxy-2-pyridin-4-yl-1H-benzimidazole.

Molecular Properties

Compound Namecyclohexanol;5,6-dichloro-4-methoxy-2-pyridin-4-yl-1H-benzimidazole
PubChem CID142454153
Molecular FormulaC19H21Cl2N3O2
Molecular Weight394.30 g/mol
Exact Mass393.10
IUPAC Namecyclohexanol;5,6-dichloro-4-methoxy-2-pyridin-4-yl-1H-benzimidazole
SMILESCOc1c(Cl)c(Cl)cc2[nH]c(-c3ccncc3)nc12.OC1CCCCC1
InChIInChI=1S/C13H9Cl2N3O.C6H12O/c1-19-12-10(15)8(14)6-9-11(12)18-13(17-9)7-2-4-16-5-3-7;7-6-4-2-1-3-5-6/h2-6H,1H3,(H,17,18);6-7H,1-5H2
InChIKeyOVLJHYPHBVMGEB-UHFFFAOYSA-N
XLogP5.25
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.30
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclohexanol;5,6-dichloro-4-methoxy-2-pyridin-4-yl-1H-benzimidazole?
The IUPAC name of cyclohexanol;5,6-dichloro-4-methoxy-2-pyridin-4-yl-1H-benzimidazole (CID 142454153) is cyclohexanol;5,6-dichloro-4-methoxy-2-pyridin-4-yl-1H-benzimidazole.
What is the SMILES notation for cyclohexanol;5,6-dichloro-4-methoxy-2-pyridin-4-yl-1H-benzimidazole?
The canonical SMILES for cyclohexanol;5,6-dichloro-4-methoxy-2-pyridin-4-yl-1H-benzimidazole is COc1c(Cl)c(Cl)cc2[nH]c(-c3ccncc3)nc12.OC1CCCCC1.
What is the InChIKey of cyclohexanol;5,6-dichloro-4-methoxy-2-pyridin-4-yl-1H-benzimidazole?
The InChIKey is OVLJHYPHBVMGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N3O.C6H12O/c1-19-12-10(15)8(14)6-9-11(12)18-13(17-9)7-2-4-16-5-3-7;7-6-4-2-1-3-5-6/h2-6H,1H3,(H,17,18);6-7H,1-5H2.
What are the key properties of cyclohexanol;5,6-dichloro-4-methoxy-2-pyridin-4-yl-1H-benzimidazole?
cyclohexanol;5,6-dichloro-4-methoxy-2-pyridin-4-yl-1H-benzimidazole has a molecular weight of 394.30 g/mol, XLogP of 5.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanol;5,6-dichloro-4-methoxy-2-pyridin-4-yl-1H-benzimidazole is sourced from PubChem (CID 142454153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).