6-chloro-2-(1-chloroethyl)-1-cyclopropylbenzimidazole

C12H12Cl2N2 — CID 115470825

IUPAC6-chloro-2-(1-chloroethyl)-1-cyclopropylbenzimidazole
SMILESCC(Cl)c1nc2ccc(Cl)cc2n1C1CC1
InChIInChI=1S/C12H12Cl2N2/c1-7(13)12-15-10-5-2-8(14)6-11(10)16(12)9-3-4-9/h2,5-7,9H,3-4H2,1H3
InChIKeyJOIDWGLUYTXPCB-UHFFFAOYSA-N
MW255.15 g/mol
LogP4.32
Rot. Bonds2

About 6-chloro-2-(1-chloroethyl)-1-cyclopropylbenzimidazole

6-chloro-2-(1-chloroethyl)-1-cyclopropylbenzimidazole (PubChem CID 115470825) has the molecular formula C12H12Cl2N2 and a molecular weight of 255.15 g/mol. Its IUPAC name is 6-chloro-2-(1-chloroethyl)-1-cyclopropylbenzimidazole.

Molecular Properties

Compound Name6-chloro-2-(1-chloroethyl)-1-cyclopropylbenzimidazole
PubChem CID115470825
Molecular FormulaC12H12Cl2N2
Molecular Weight255.15 g/mol
Exact Mass254.04
IUPAC Name6-chloro-2-(1-chloroethyl)-1-cyclopropylbenzimidazole
SMILESCC(Cl)c1nc2ccc(Cl)cc2n1C1CC1
InChIInChI=1S/C12H12Cl2N2/c1-7(13)12-15-10-5-2-8(14)6-11(10)16(12)9-3-4-9/h2,5-7,9H,3-4H2,1H3
InChIKeyJOIDWGLUYTXPCB-UHFFFAOYSA-N
XLogP4.32
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.15
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(1-chloroethyl)-1-cyclopropylbenzimidazole?
The IUPAC name of 6-chloro-2-(1-chloroethyl)-1-cyclopropylbenzimidazole (CID 115470825) is 6-chloro-2-(1-chloroethyl)-1-cyclopropylbenzimidazole.
What is the SMILES notation for 6-chloro-2-(1-chloroethyl)-1-cyclopropylbenzimidazole?
The canonical SMILES for 6-chloro-2-(1-chloroethyl)-1-cyclopropylbenzimidazole is CC(Cl)c1nc2ccc(Cl)cc2n1C1CC1.
What is the InChIKey of 6-chloro-2-(1-chloroethyl)-1-cyclopropylbenzimidazole?
The InChIKey is JOIDWGLUYTXPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2/c1-7(13)12-15-10-5-2-8(14)6-11(10)16(12)9-3-4-9/h2,5-7,9H,3-4H2,1H3.
What are the key properties of 6-chloro-2-(1-chloroethyl)-1-cyclopropylbenzimidazole?
6-chloro-2-(1-chloroethyl)-1-cyclopropylbenzimidazole has a molecular weight of 255.15 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(1-chloroethyl)-1-cyclopropylbenzimidazole is sourced from PubChem (CID 115470825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).