5-chloro-2-(1-chloroethyl)-1-(1-pyridin-4-ylethyl)benzimidazole

C16H15Cl2N3 — CID 43667577

IUPAC5-chloro-2-(1-chloroethyl)-1-(1-pyridin-4-ylethyl)benzimidazole
SMILESCC(Cl)c1nc2cc(Cl)ccc2n1C(C)c1ccncc1
InChIInChI=1S/C16H15Cl2N3/c1-10(17)16-20-14-9-13(18)3-4-15(14)21(16)11(2)12-5-7-19-8-6-12/h3-11H,1-2H3
InChIKeyLYMZSDLDYFPKFB-UHFFFAOYSA-N
MW320.22 g/mol
LogP4.99
Rot. Bonds3

About 5-chloro-2-(1-chloroethyl)-1-(1-pyridin-4-ylethyl)benzimidazole

5-chloro-2-(1-chloroethyl)-1-(1-pyridin-4-ylethyl)benzimidazole (PubChem CID 43667577) has the molecular formula C16H15Cl2N3 and a molecular weight of 320.22 g/mol. Its IUPAC name is 5-chloro-2-(1-chloroethyl)-1-(1-pyridin-4-ylethyl)benzimidazole.

Molecular Properties

Compound Name5-chloro-2-(1-chloroethyl)-1-(1-pyridin-4-ylethyl)benzimidazole
PubChem CID43667577
Molecular FormulaC16H15Cl2N3
Molecular Weight320.22 g/mol
Exact Mass319.06
IUPAC Name5-chloro-2-(1-chloroethyl)-1-(1-pyridin-4-ylethyl)benzimidazole
SMILESCC(Cl)c1nc2cc(Cl)ccc2n1C(C)c1ccncc1
InChIInChI=1S/C16H15Cl2N3/c1-10(17)16-20-14-9-13(18)3-4-15(14)21(16)11(2)12-5-7-19-8-6-12/h3-11H,1-2H3
InChIKeyLYMZSDLDYFPKFB-UHFFFAOYSA-N
XLogP4.99
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.22
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-2-(1-chloroethyl)-1-(1-pyridin-4-ylethyl)benzimidazole
CID 115471085
2-(1-chloroethyl)-1-(1-pyridin-4-ylethyl)imidazo[4,5-c]pyridine
CID 79292511
5-chloro-2-[(1S)-1-chloroethyl]-1-propan-2-ylbenzimidazole
CID 93258606
6-bromo-2-(1-chloroethyl)-1-(1-pyridin-4-ylethyl)benzimidazole
CID 65344800
2-(1-chloroethyl)-1-[1-(4-chlorophenyl)ethyl]benzimidazole
CID 63546317
5-chloro-2-(1-chloroethyl)-1-(1-methylsulfonylpropan-2-yl)benzimidazole
CID 64642268
5-chloro-2-(1-chloroethyl)-1-ethylbenzimidazole
CID 43666414
6-chloro-3-(1-pyridin-4-ylethyl)-1H-benzimidazole-2-thione
CID 43659566
5-chloro-2-(1-chloroethyl)-1-phenylbenzimidazole
CID 43667015
5-chloro-2-(1-chloroethyl)-1-[(3-methyl-4-pyridinyl)methyl]benzimidazole
CID 114701310
2-[1-[2-(1-chloroethyl)-5-iodobenzimidazol-1-yl]ethyl]-1,3-thiazole
CID 66082268
2-(2-chloroethyl)-5-iodo-1-(1-pyridin-4-ylethyl)benzimidazole
CID 66080837

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(1-chloroethyl)-1-(1-pyridin-4-ylethyl)benzimidazole?
The IUPAC name of 5-chloro-2-(1-chloroethyl)-1-(1-pyridin-4-ylethyl)benzimidazole (CID 43667577) is 5-chloro-2-(1-chloroethyl)-1-(1-pyridin-4-ylethyl)benzimidazole.
What is the SMILES notation for 5-chloro-2-(1-chloroethyl)-1-(1-pyridin-4-ylethyl)benzimidazole?
The canonical SMILES for 5-chloro-2-(1-chloroethyl)-1-(1-pyridin-4-ylethyl)benzimidazole is CC(Cl)c1nc2cc(Cl)ccc2n1C(C)c1ccncc1.
What is the InChIKey of 5-chloro-2-(1-chloroethyl)-1-(1-pyridin-4-ylethyl)benzimidazole?
The InChIKey is LYMZSDLDYFPKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3/c1-10(17)16-20-14-9-13(18)3-4-15(14)21(16)11(2)12-5-7-19-8-6-12/h3-11H,1-2H3.
What are the key properties of 5-chloro-2-(1-chloroethyl)-1-(1-pyridin-4-ylethyl)benzimidazole?
5-chloro-2-(1-chloroethyl)-1-(1-pyridin-4-ylethyl)benzimidazole has a molecular weight of 320.22 g/mol, XLogP of 4.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(1-chloroethyl)-1-(1-pyridin-4-ylethyl)benzimidazole is sourced from PubChem (CID 43667577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).