5,6-dichloro-2-(cyclohexylmethyl)-1H-benzimidazole

C14H16Cl2N2 — CID 82005203

IUPAC5,6-dichloro-2-(cyclohexylmethyl)-1H-benzimidazole
SMILESClc1cc2nc(CC3CCCCC3)[nH]c2cc1Cl
InChIInChI=1S/C14H16Cl2N2/c15-10-7-12-13(8-11(10)16)18-14(17-12)6-9-4-2-1-3-5-9/h7-9H,1-6H2,(H,17,18)
InChIKeyFXFROVJBIMQYNN-UHFFFAOYSA-N
MW283.20 g/mol
LogP4.99
Rot. Bonds2

About 5,6-dichloro-2-(cyclohexylmethyl)-1H-benzimidazole

5,6-dichloro-2-(cyclohexylmethyl)-1H-benzimidazole (PubChem CID 82005203) has the molecular formula C14H16Cl2N2 and a molecular weight of 283.20 g/mol. Its IUPAC name is 5,6-dichloro-2-(cyclohexylmethyl)-1H-benzimidazole.

Molecular Properties

Compound Name5,6-dichloro-2-(cyclohexylmethyl)-1H-benzimidazole
PubChem CID82005203
Molecular FormulaC14H16Cl2N2
Molecular Weight283.20 g/mol
Exact Mass282.07
IUPAC Name5,6-dichloro-2-(cyclohexylmethyl)-1H-benzimidazole
SMILESClc1cc2nc(CC3CCCCC3)[nH]c2cc1Cl
InChIInChI=1S/C14H16Cl2N2/c15-10-7-12-13(8-11(10)16)18-14(17-12)6-9-4-2-1-3-5-9/h7-9H,1-6H2,(H,17,18)
InChIKeyFXFROVJBIMQYNN-UHFFFAOYSA-N
XLogP4.99
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.20
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-2-(cyclohexylmethyl)-1H-benzimidazole?
The IUPAC name of 5,6-dichloro-2-(cyclohexylmethyl)-1H-benzimidazole (CID 82005203) is 5,6-dichloro-2-(cyclohexylmethyl)-1H-benzimidazole.
What is the SMILES notation for 5,6-dichloro-2-(cyclohexylmethyl)-1H-benzimidazole?
The canonical SMILES for 5,6-dichloro-2-(cyclohexylmethyl)-1H-benzimidazole is Clc1cc2nc(CC3CCCCC3)[nH]c2cc1Cl.
What is the InChIKey of 5,6-dichloro-2-(cyclohexylmethyl)-1H-benzimidazole?
The InChIKey is FXFROVJBIMQYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2/c15-10-7-12-13(8-11(10)16)18-14(17-12)6-9-4-2-1-3-5-9/h7-9H,1-6H2,(H,17,18).
What are the key properties of 5,6-dichloro-2-(cyclohexylmethyl)-1H-benzimidazole?
5,6-dichloro-2-(cyclohexylmethyl)-1H-benzimidazole has a molecular weight of 283.20 g/mol, XLogP of 4.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-2-(cyclohexylmethyl)-1H-benzimidazole is sourced from PubChem (CID 82005203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).