7-chloro-2-(1-chloroethyl)-1-pentylbenzimidazole

C14H18Cl2N2 — CID 43666215

IUPAC7-chloro-2-(1-chloroethyl)-1-pentylbenzimidazole
SMILESCCCCCn1c(C(C)Cl)nc2cccc(Cl)c21
InChIInChI=1S/C14H18Cl2N2/c1-3-4-5-9-18-13-11(16)7-6-8-12(13)17-14(18)10(2)15/h6-8,10H,3-5,9H2,1-2H3
InChIKeyOVCFGCHRCUTWFI-UHFFFAOYSA-N
MW285.22 g/mol
LogP5.18
Rot. Bonds5

About 7-chloro-2-(1-chloroethyl)-1-pentylbenzimidazole

7-chloro-2-(1-chloroethyl)-1-pentylbenzimidazole (PubChem CID 43666215) has the molecular formula C14H18Cl2N2 and a molecular weight of 285.22 g/mol. Its IUPAC name is 7-chloro-2-(1-chloroethyl)-1-pentylbenzimidazole.

Molecular Properties

Compound Name7-chloro-2-(1-chloroethyl)-1-pentylbenzimidazole
PubChem CID43666215
Molecular FormulaC14H18Cl2N2
Molecular Weight285.22 g/mol
Exact Mass284.08
IUPAC Name7-chloro-2-(1-chloroethyl)-1-pentylbenzimidazole
SMILESCCCCCn1c(C(C)Cl)nc2cccc(Cl)c21
InChIInChI=1S/C14H18Cl2N2/c1-3-4-5-9-18-13-11(16)7-6-8-12(13)17-14(18)10(2)15/h6-8,10H,3-5,9H2,1-2H3
InChIKeyOVCFGCHRCUTWFI-UHFFFAOYSA-N
XLogP5.18
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.22
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-chloro-2-(1-chloroethyl)-1-(3-propoxypropyl)benzimidazole
CID 82944116
3-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]-N,N-dimethylpropan-1-amine
CID 43666503
5-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]pentanamide
CID 106240470
4-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]butanamide
CID 60863795
7-chloro-2-[(1S)-1-chloroethyl]-1-ethylbenzimidazole
CID 93303287
7-chloro-2-(1-chloroethyl)-1-(3-methylsulfanylpropyl)benzimidazole
CID 63959987
7-chloro-2-(1-chloroethyl)-1-(2-ethylhexyl)benzimidazole
CID 107817174
N-[2-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]ethyl]-N-methylbutan-2-amine
CID 106004805
7-chloro-2-(1-chloroethyl)-1-(2-methylbutyl)benzimidazole
CID 55221624
(1S)-1-(7-chloro-1-propylbenzimidazol-2-yl)ethanol
CID 94958068
7-chloro-2-(1-chloroethyl)-1-(2,2-dimethylpropyl)benzimidazole
CID 63544860
7-chloro-2-(1-chloroethyl)-1-(2,2-dimethylbutyl)benzimidazole
CID 103463020

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(1-chloroethyl)-1-pentylbenzimidazole?
The IUPAC name of 7-chloro-2-(1-chloroethyl)-1-pentylbenzimidazole (CID 43666215) is 7-chloro-2-(1-chloroethyl)-1-pentylbenzimidazole.
What is the SMILES notation for 7-chloro-2-(1-chloroethyl)-1-pentylbenzimidazole?
The canonical SMILES for 7-chloro-2-(1-chloroethyl)-1-pentylbenzimidazole is CCCCCn1c(C(C)Cl)nc2cccc(Cl)c21.
What is the InChIKey of 7-chloro-2-(1-chloroethyl)-1-pentylbenzimidazole?
The InChIKey is OVCFGCHRCUTWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2/c1-3-4-5-9-18-13-11(16)7-6-8-12(13)17-14(18)10(2)15/h6-8,10H,3-5,9H2,1-2H3.
What are the key properties of 7-chloro-2-(1-chloroethyl)-1-pentylbenzimidazole?
7-chloro-2-(1-chloroethyl)-1-pentylbenzimidazole has a molecular weight of 285.22 g/mol, XLogP of 5.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(1-chloroethyl)-1-pentylbenzimidazole is sourced from PubChem (CID 43666215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).