2-chloro-7-heptan-4-yl-1-methylbenzimidazole

C15H21ClN2 — CID 67271832

IUPAC2-chloro-7-heptan-4-yl-1-methylbenzimidazole
SMILESCCCC(CCC)c1cccc2nc(Cl)n(C)c12
InChIInChI=1S/C15H21ClN2/c1-4-7-11(8-5-2)12-9-6-10-13-14(12)18(3)15(16)17-13/h6,9-11H,4-5,7-8H2,1-3H3
InChIKeyGEBXWQJEJYZPRG-UHFFFAOYSA-N
MW264.80 g/mol
LogP4.91
Rot. Bonds5

About 2-chloro-7-heptan-4-yl-1-methylbenzimidazole

2-chloro-7-heptan-4-yl-1-methylbenzimidazole (PubChem CID 67271832) has the molecular formula C15H21ClN2 and a molecular weight of 264.80 g/mol. Its IUPAC name is 2-chloro-7-heptan-4-yl-1-methylbenzimidazole.

Molecular Properties

Compound Name2-chloro-7-heptan-4-yl-1-methylbenzimidazole
PubChem CID67271832
Molecular FormulaC15H21ClN2
Molecular Weight264.80 g/mol
Exact Mass264.14
IUPAC Name2-chloro-7-heptan-4-yl-1-methylbenzimidazole
SMILESCCCC(CCC)c1cccc2nc(Cl)n(C)c12
InChIInChI=1S/C15H21ClN2/c1-4-7-11(8-5-2)12-9-6-10-13-14(12)18(3)15(16)17-13/h6,9-11H,4-5,7-8H2,1-3H3
InChIKeyGEBXWQJEJYZPRG-UHFFFAOYSA-N
XLogP4.91
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.80
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-heptan-4-yl-1-methylbenzimidazole?
The IUPAC name of 2-chloro-7-heptan-4-yl-1-methylbenzimidazole (CID 67271832) is 2-chloro-7-heptan-4-yl-1-methylbenzimidazole.
What is the SMILES notation for 2-chloro-7-heptan-4-yl-1-methylbenzimidazole?
The canonical SMILES for 2-chloro-7-heptan-4-yl-1-methylbenzimidazole is CCCC(CCC)c1cccc2nc(Cl)n(C)c12.
What is the InChIKey of 2-chloro-7-heptan-4-yl-1-methylbenzimidazole?
The InChIKey is GEBXWQJEJYZPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2/c1-4-7-11(8-5-2)12-9-6-10-13-14(12)18(3)15(16)17-13/h6,9-11H,4-5,7-8H2,1-3H3.
What are the key properties of 2-chloro-7-heptan-4-yl-1-methylbenzimidazole?
2-chloro-7-heptan-4-yl-1-methylbenzimidazole has a molecular weight of 264.80 g/mol, XLogP of 4.91, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-heptan-4-yl-1-methylbenzimidazole is sourced from PubChem (CID 67271832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).