2-(2-chloroethyl)-7-methyl-1-(4-methylhexan-2-yl)benzimidazole

C17H25ClN2 — CID 115553640

IUPAC2-(2-chloroethyl)-7-methyl-1-(4-methylhexan-2-yl)benzimidazole
SMILESCCC(C)CC(C)n1c(CCCl)nc2cccc(C)c21
InChIInChI=1S/C17H25ClN2/c1-5-12(2)11-14(4)20-16(9-10-18)19-15-8-6-7-13(3)17(15)20/h6-8,12,14H,5,9-11H2,1-4H3
InChIKeyRJGJYDPIBFPBKD-UHFFFAOYSA-N
MW292.85 g/mol
LogP5.12
Rot. Bonds6

About 2-(2-chloroethyl)-7-methyl-1-(4-methylhexan-2-yl)benzimidazole

2-(2-chloroethyl)-7-methyl-1-(4-methylhexan-2-yl)benzimidazole (PubChem CID 115553640) has the molecular formula C17H25ClN2 and a molecular weight of 292.85 g/mol. Its IUPAC name is 2-(2-chloroethyl)-7-methyl-1-(4-methylhexan-2-yl)benzimidazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-7-methyl-1-(4-methylhexan-2-yl)benzimidazole
PubChem CID115553640
Molecular FormulaC17H25ClN2
Molecular Weight292.85 g/mol
Exact Mass292.17
IUPAC Name2-(2-chloroethyl)-7-methyl-1-(4-methylhexan-2-yl)benzimidazole
SMILESCCC(C)CC(C)n1c(CCCl)nc2cccc(C)c21
InChIInChI=1S/C17H25ClN2/c1-5-12(2)11-14(4)20-16(9-10-18)19-15-8-6-7-13(3)17(15)20/h6-8,12,14H,5,9-11H2,1-4H3
InChIKeyRJGJYDPIBFPBKD-UHFFFAOYSA-N
XLogP5.12
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.85
LogP ≤ 55.12
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-(2-chloroethyl)-1-hexan-2-yl-7-methylbenzimidazole
CID 115553382
2-(2-chloroethyl)-1-(1-methoxypropan-2-yl)-7-methylbenzimidazole
CID 115552669
4-chloro-2-(2-chloroethyl)-1-(4-methylhexan-2-yl)benzimidazole
CID 104838349
methyl 2-[2-(2-chloroethyl)-7-methylbenzimidazol-1-yl]propanoate
CID 115553192
2-[2-(2-chloroethyl)-7-methylbenzimidazol-1-yl]-N-ethyl-N-methylpropanamide
CID 103112311
2-(2-chloroethyl)-7-methyl-1-propylbenzimidazole
CID 115552731
2-(chloromethyl)-7-methyl-1-(2-methylpentan-3-yl)benzimidazole
CID 113334040
2-(chloromethyl)-7-methyl-1-propan-2-ylbenzimidazole
CID 115552648
1-benzyl-2-(2-chloroethyl)-7-methylbenzimidazole
CID 115552681
2-(2-chloroethyl)-1-(2,6-dibromophenyl)-7-methylbenzimidazole
CID 107601522
7-chloro-2-(2-chloroethyl)-1-(1-methylsulfonylpropan-2-yl)benzimidazole
CID 64643619
2-(2-chloroethyl)-7-methyl-1-[(3-methyl-2-pyridinyl)methyl]benzimidazole
CID 115553484

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-7-methyl-1-(4-methylhexan-2-yl)benzimidazole?
The IUPAC name of 2-(2-chloroethyl)-7-methyl-1-(4-methylhexan-2-yl)benzimidazole (CID 115553640) is 2-(2-chloroethyl)-7-methyl-1-(4-methylhexan-2-yl)benzimidazole.
What is the SMILES notation for 2-(2-chloroethyl)-7-methyl-1-(4-methylhexan-2-yl)benzimidazole?
The canonical SMILES for 2-(2-chloroethyl)-7-methyl-1-(4-methylhexan-2-yl)benzimidazole is CCC(C)CC(C)n1c(CCCl)nc2cccc(C)c21.
What is the InChIKey of 2-(2-chloroethyl)-7-methyl-1-(4-methylhexan-2-yl)benzimidazole?
The InChIKey is RJGJYDPIBFPBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2/c1-5-12(2)11-14(4)20-16(9-10-18)19-15-8-6-7-13(3)17(15)20/h6-8,12,14H,5,9-11H2,1-4H3.
What are the key properties of 2-(2-chloroethyl)-7-methyl-1-(4-methylhexan-2-yl)benzimidazole?
2-(2-chloroethyl)-7-methyl-1-(4-methylhexan-2-yl)benzimidazole has a molecular weight of 292.85 g/mol, XLogP of 5.12, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-7-methyl-1-(4-methylhexan-2-yl)benzimidazole is sourced from PubChem (CID 115553640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).