5,6-dichloro-2-cycloheptyl-1H-benzimidazole

C14H16Cl2N2 — CID 82004587

IUPAC5,6-dichloro-2-cycloheptyl-1H-benzimidazole
SMILESClc1cc2nc(C3CCCCCC3)[nH]c2cc1Cl
InChIInChI=1S/C14H16Cl2N2/c15-10-7-12-13(8-11(10)16)18-14(17-12)9-5-3-1-2-4-6-9/h7-9H,1-6H2,(H,17,18)
InChIKeyXBXOKFAWARLAHY-UHFFFAOYSA-N
MW283.20 g/mol
LogP5.31
Rot. Bonds1

About 5,6-dichloro-2-cycloheptyl-1H-benzimidazole

5,6-dichloro-2-cycloheptyl-1H-benzimidazole (PubChem CID 82004587) has the molecular formula C14H16Cl2N2 and a molecular weight of 283.20 g/mol. Its IUPAC name is 5,6-dichloro-2-cycloheptyl-1H-benzimidazole.

Molecular Properties

Compound Name5,6-dichloro-2-cycloheptyl-1H-benzimidazole
PubChem CID82004587
Molecular FormulaC14H16Cl2N2
Molecular Weight283.20 g/mol
Exact Mass282.07
IUPAC Name5,6-dichloro-2-cycloheptyl-1H-benzimidazole
SMILESClc1cc2nc(C3CCCCCC3)[nH]c2cc1Cl
InChIInChI=1S/C14H16Cl2N2/c15-10-7-12-13(8-11(10)16)18-14(17-12)9-5-3-1-2-4-6-9/h7-9H,1-6H2,(H,17,18)
InChIKeyXBXOKFAWARLAHY-UHFFFAOYSA-N
XLogP5.31
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.20
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(7-bicyclo[4.1.0]heptanyl)-5,6-dichloro-1H-benzimidazole
CID 82004398
2-(3-bicyclo[3.1.0]hexanyl)-5,6-dichloro-1H-benzimidazole
CID 82003889
2-cyclooctyl-5,6-dimethoxy-1H-benzimidazole
CID 65023198
5,6-dichloro-2-(cyclohexylmethyl)-1H-benzimidazole
CID 82005203
4-(5,6-dichloro-1H-benzimidazol-2-yl)-N-methylpiperidine-1-sulfonamide
CID 110611061
1-(6-chloro-2-cyclopropyl-1H-benzimidazol-5-yl)ethanone
CID 83896303
2-cyclohexyl-3H-benzimidazole-5-sulfonyl chloride
CID 82502367
[2-(5,6-dichloro-1H-benzimidazol-2-yl)cyclopentyl]methanamine
CID 82001526
6-chloro-2-cyclohexyl-1H-imidazo[4,5-b]pyridine
CID 82142257
2-cyclooctyl-3H-benzimidazole-5-carbonitrile
CID 79004189
4-(5,6-dichloro-1H-benzimidazol-2-yl)-N,N-diethylpiperidine-1-carboxamide
CID 110603188
2-[3-(5,6-dichloro-1H-benzimidazol-2-yl)piperidin-1-yl]-1-(3,5-dichlorophenyl)ethanone
CID 134153885

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-2-cycloheptyl-1H-benzimidazole?
The IUPAC name of 5,6-dichloro-2-cycloheptyl-1H-benzimidazole (CID 82004587) is 5,6-dichloro-2-cycloheptyl-1H-benzimidazole.
What is the SMILES notation for 5,6-dichloro-2-cycloheptyl-1H-benzimidazole?
The canonical SMILES for 5,6-dichloro-2-cycloheptyl-1H-benzimidazole is Clc1cc2nc(C3CCCCCC3)[nH]c2cc1Cl.
What is the InChIKey of 5,6-dichloro-2-cycloheptyl-1H-benzimidazole?
The InChIKey is XBXOKFAWARLAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2/c15-10-7-12-13(8-11(10)16)18-14(17-12)9-5-3-1-2-4-6-9/h7-9H,1-6H2,(H,17,18).
What are the key properties of 5,6-dichloro-2-cycloheptyl-1H-benzimidazole?
5,6-dichloro-2-cycloheptyl-1H-benzimidazole has a molecular weight of 283.20 g/mol, XLogP of 5.31, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-2-cycloheptyl-1H-benzimidazole is sourced from PubChem (CID 82004587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).