7-chloro-2-[(1S)-1-chloroethyl]-1-ethylbenzimidazole

C11H12Cl2N2 — CID 93303287

IUPAC7-chloro-2-[(1S)-1-chloroethyl]-1-ethylbenzimidazole
SMILESCCn1c([C@H](C)Cl)nc2cccc(Cl)c21
InChIInChI=1S/C11H12Cl2N2/c1-3-15-10-8(13)5-4-6-9(10)14-11(15)7(2)12/h4-7H,3H2,1-2H3/t7-/m0/s1
InChIKeyNFZCXOFRLYRGMU-ZETCQYMHSA-N
MW243.14 g/mol
LogP4.01
Rot. Bonds2

About 7-chloro-2-[(1S)-1-chloroethyl]-1-ethylbenzimidazole

7-chloro-2-[(1S)-1-chloroethyl]-1-ethylbenzimidazole (PubChem CID 93303287) has the molecular formula C11H12Cl2N2 and a molecular weight of 243.14 g/mol. Its IUPAC name is 7-chloro-2-[(1S)-1-chloroethyl]-1-ethylbenzimidazole.

Molecular Properties

Compound Name7-chloro-2-[(1S)-1-chloroethyl]-1-ethylbenzimidazole
PubChem CID93303287
Molecular FormulaC11H12Cl2N2
Molecular Weight243.14 g/mol
Exact Mass242.04
IUPAC Name7-chloro-2-[(1S)-1-chloroethyl]-1-ethylbenzimidazole
SMILESCCn1c([C@H](C)Cl)nc2cccc(Cl)c21
InChIInChI=1S/C11H12Cl2N2/c1-3-15-10-8(13)5-4-6-9(10)14-11(15)7(2)12/h4-7H,3H2,1-2H3/t7-/m0/s1
InChIKeyNFZCXOFRLYRGMU-ZETCQYMHSA-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

(1R)-1-(7-chloro-1-ethylbenzimidazol-2-yl)ethanol
CID 94958065
7-chloro-2-(1-chloroethyl)-1-(2-methylbutyl)benzimidazole
CID 55221624
7-chloro-2-(1-chloroethyl)-1-pentylbenzimidazole
CID 43666215
7-chloro-2-(1-chloroethyl)-1-(2,2-dimethylpropyl)benzimidazole
CID 63544860
7-chloro-2-(1-chloroethyl)-1-(2,2-dimethylbutyl)benzimidazole
CID 103463020
2-(7-chloro-1-ethylbenzimidazol-2-yl)-3-methylbutan-1-amine
CID 65220925
3-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]-N,N-dimethylpropan-1-amine
CID 43666503
N-[2-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]ethyl]-N-methylbutan-2-amine
CID 106004805
7-chloro-2-(1-chloroethyl)-1-(3-methylsulfanylpropyl)benzimidazole
CID 63959987
7-chloro-2-(1-chloroethyl)-1-(3-propoxypropyl)benzimidazole
CID 82944116
7-chloro-2-(1-chloroethyl)-1-(2-ethylhexyl)benzimidazole
CID 107817174
7-chloro-2-(1-chloroethyl)-1-methylbenzimidazole
CID 43666114

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[(1S)-1-chloroethyl]-1-ethylbenzimidazole?
The IUPAC name of 7-chloro-2-[(1S)-1-chloroethyl]-1-ethylbenzimidazole (CID 93303287) is 7-chloro-2-[(1S)-1-chloroethyl]-1-ethylbenzimidazole.
What is the SMILES notation for 7-chloro-2-[(1S)-1-chloroethyl]-1-ethylbenzimidazole?
The canonical SMILES for 7-chloro-2-[(1S)-1-chloroethyl]-1-ethylbenzimidazole is CCn1c([C@H](C)Cl)nc2cccc(Cl)c21.
What is the InChIKey of 7-chloro-2-[(1S)-1-chloroethyl]-1-ethylbenzimidazole?
The InChIKey is NFZCXOFRLYRGMU-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H12Cl2N2/c1-3-15-10-8(13)5-4-6-9(10)14-11(15)7(2)12/h4-7H,3H2,1-2H3/t7-/m0/s1.
What are the key properties of 7-chloro-2-[(1S)-1-chloroethyl]-1-ethylbenzimidazole?
7-chloro-2-[(1S)-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 7-chloro-2-[(1S)-1-chloroethyl]-1-ethylbenzimidazole is sourced from PubChem (CID 93303287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).