5-chloro-2-(1-chloroethyl)-1-ethylbenzimidazole

C11H12Cl2N2 — CID 43666414

IUPAC5-chloro-2-(1-chloroethyl)-1-ethylbenzimidazole
SMILESCCn1c(C(C)Cl)nc2cc(Cl)ccc21
InChIInChI=1S/C11H12Cl2N2/c1-3-15-10-5-4-8(13)6-9(10)14-11(15)7(2)12/h4-7H,3H2,1-2H3
InChIKeyPWRLKEARCAFSRD-UHFFFAOYSA-N
MW243.14 g/mol
LogP4.01
Rot. Bonds2

About 5-chloro-2-(1-chloroethyl)-1-ethylbenzimidazole

5-chloro-2-(1-chloroethyl)-1-ethylbenzimidazole (PubChem CID 43666414) has the molecular formula C11H12Cl2N2 and a molecular weight of 243.14 g/mol. Its IUPAC name is 5-chloro-2-(1-chloroethyl)-1-ethylbenzimidazole.

Molecular Properties

Compound Name5-chloro-2-(1-chloroethyl)-1-ethylbenzimidazole
PubChem CID43666414
Molecular FormulaC11H12Cl2N2
Molecular Weight243.14 g/mol
Exact Mass242.04
IUPAC Name5-chloro-2-(1-chloroethyl)-1-ethylbenzimidazole
SMILESCCn1c(C(C)Cl)nc2cc(Cl)ccc21
InChIInChI=1S/C11H12Cl2N2/c1-3-15-10-5-4-8(13)6-9(10)14-11(15)7(2)12/h4-7H,3H2,1-2H3
InChIKeyPWRLKEARCAFSRD-UHFFFAOYSA-N
XLogP4.01
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.14
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(azetidin-3-yl)ethyl]-5-chloro-1-ethylbenzimidazole
CID 116682105
5-chloro-1-ethyl-2-(1-phenylpropyl)benzimidazole
CID 46310477
ethyl 2-(5-chloro-1-ethylbenzimidazol-2-yl)propanoate
CID 79474797
(5-chloro-1-ethylbenzimidazol-2-yl)-cyclohexylmethanamine
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5-chloro-2-[(1S)-1-chloroethyl]-1-propan-2-ylbenzimidazole
CID 93258606
(5-chloro-1-ethylbenzimidazol-2-yl)-phenylmethanamine
CID 60784401
5-[[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]methyl]-1,2-oxazole
CID 106420492
4-[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]butanamide
CID 60862901
5-[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]pentanamide
CID 106240379
5-chloro-2-(1-chloroethyl)-1-[(6-methyl-2-pyridinyl)methyl]benzimidazole
CID 62307541
5-chloro-2-(1-chloroethyl)-1-[(3-methylcyclopentyl)methyl]benzimidazole
CID 107414365
5-chloro-2-(1-chloroethyl)-1-[2-(5-chlorothiophen-2-yl)ethyl]benzimidazole
CID 106037753

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(1-chloroethyl)-1-ethylbenzimidazole?
The IUPAC name of 5-chloro-2-(1-chloroethyl)-1-ethylbenzimidazole (CID 43666414) is 5-chloro-2-(1-chloroethyl)-1-ethylbenzimidazole.
What is the SMILES notation for 5-chloro-2-(1-chloroethyl)-1-ethylbenzimidazole?
The canonical SMILES for 5-chloro-2-(1-chloroethyl)-1-ethylbenzimidazole is CCn1c(C(C)Cl)nc2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-2-(1-chloroethyl)-1-ethylbenzimidazole?
The InChIKey is PWRLKEARCAFSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2/c1-3-15-10-5-4-8(13)6-9(10)14-11(15)7(2)12/h4-7H,3H2,1-2H3.
What are the key properties of 5-chloro-2-(1-chloroethyl)-1-ethylbenzimidazole?
5-chloro-2-(1-chloroethyl)-1-ethylbenzimidazole has a molecular weight of 243.14 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(1-chloroethyl)-1-ethylbenzimidazole is sourced from PubChem (CID 43666414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).