2-(7-bicyclo[4.1.0]heptanyl)-5,6-dichloro-1H-benzimidazole

C14H14Cl2N2 — CID 82004398

IUPAC2-(7-bicyclo[4.1.0]heptanyl)-5,6-dichloro-1H-benzimidazole
SMILESClc1cc2nc(C3C4CCCCC43)[nH]c2cc1Cl
InChIInChI=1S/C14H14Cl2N2/c15-9-5-11-12(6-10(9)16)18-14(17-11)13-7-3-1-2-4-8(7)13/h5-8,13H,1-4H2,(H,17,18)
InChIKeyYZJNUEVKCYGING-UHFFFAOYSA-N
MW281.19 g/mol
LogP4.77
Rot. Bonds1

About 2-(7-bicyclo[4.1.0]heptanyl)-5,6-dichloro-1H-benzimidazole

2-(7-bicyclo[4.1.0]heptanyl)-5,6-dichloro-1H-benzimidazole (PubChem CID 82004398) has the molecular formula C14H14Cl2N2 and a molecular weight of 281.19 g/mol. Its IUPAC name is 2-(7-bicyclo[4.1.0]heptanyl)-5,6-dichloro-1H-benzimidazole.

Molecular Properties

Compound Name2-(7-bicyclo[4.1.0]heptanyl)-5,6-dichloro-1H-benzimidazole
PubChem CID82004398
Molecular FormulaC14H14Cl2N2
Molecular Weight281.19 g/mol
Exact Mass280.05
IUPAC Name2-(7-bicyclo[4.1.0]heptanyl)-5,6-dichloro-1H-benzimidazole
SMILESClc1cc2nc(C3C4CCCCC43)[nH]c2cc1Cl
InChIInChI=1S/C14H14Cl2N2/c15-9-5-11-12(6-10(9)16)18-14(17-11)13-7-3-1-2-4-8(7)13/h5-8,13H,1-4H2,(H,17,18)
InChIKeyYZJNUEVKCYGING-UHFFFAOYSA-N
XLogP4.77
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.19
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(7-bicyclo[4.1.0]heptanyl)-5,6-dichloro-1H-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

5,6-dichloro-2-cycloheptyl-1H-benzimidazole
CID 82004587
2-(3-bicyclo[3.1.0]hexanyl)-5,6-dichloro-1H-benzimidazole
CID 82003889
[2-(5,6-dichloro-1H-benzimidazol-2-yl)cyclopentyl]methanamine
CID 82001526
5,6-dichloro-2-(cyclohexylmethyl)-1H-benzimidazole
CID 82005203
5,6-dichloro-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1H-benzimidazole
CID 82005440
5,6-dichloro-2-(4-methylpyrrolidin-3-yl)-1H-benzimidazole
CID 82005296
2-(5,6-dichloro-1H-benzimidazol-2-yl)cyclopropane-1-carboxylic acid
CID 82001126
5,6-dichloro-N-(cyclohexylmethyl)-1H-benzimidazol-2-amine
CID 164602928
2-(7-bicyclo[4.1.0]heptanyl)-4,6-dimethyl-1H-benzimidazole
CID 82947137
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
5,6-dichloro-2-[(5,6-dichloro-1H-benzimidazol-2-yl)disulfanyl]-1H-benzimidazole
CID 118428722

Frequently Asked Questions

What is the IUPAC name of 2-(7-bicyclo[4.1.0]heptanyl)-5,6-dichloro-1H-benzimidazole?
The IUPAC name of 2-(7-bicyclo[4.1.0]heptanyl)-5,6-dichloro-1H-benzimidazole (CID 82004398) is 2-(7-bicyclo[4.1.0]heptanyl)-5,6-dichloro-1H-benzimidazole.
What is the SMILES notation for 2-(7-bicyclo[4.1.0]heptanyl)-5,6-dichloro-1H-benzimidazole?
The canonical SMILES for 2-(7-bicyclo[4.1.0]heptanyl)-5,6-dichloro-1H-benzimidazole is Clc1cc2nc(C3C4CCCCC43)[nH]c2cc1Cl.
What is the InChIKey of 2-(7-bicyclo[4.1.0]heptanyl)-5,6-dichloro-1H-benzimidazole?
The InChIKey is YZJNUEVKCYGING-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2/c15-9-5-11-12(6-10(9)16)18-14(17-11)13-7-3-1-2-4-8(7)13/h5-8,13H,1-4H2,(H,17,18).
What are the key properties of 2-(7-bicyclo[4.1.0]heptanyl)-5,6-dichloro-1H-benzimidazole?
2-(7-bicyclo[4.1.0]heptanyl)-5,6-dichloro-1H-benzimidazole has a molecular weight of 281.19 g/mol, XLogP of 4.77, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bicyclo[4.1.0]heptanyl)-5,6-dichloro-1H-benzimidazole is sourced from PubChem (CID 82004398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).